SCHEMBL3696447

SCHEMBL3696447

O=c1oc(-c2ccc3ccccc3n2)cn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HCRTR1 O43613 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
GFER P55789 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11668799 0.73 ASAH1 (0.42) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL3696444 0.69 ALDH1A1 (0.43) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL7946803 0.67 AKR1C3 (0.42) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL9360752 0.67 NPC1 (0.46) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL1682736 0.66 TET2 (0.41) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL170196 0.66 RAB9A (0.64) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL29374931 0.66 RAB9A (0.64) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL29580854 0.64 RAB9A (0.59) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL8783647 0.64 RAB9A (0.59) ALDH1A1HPGDTP53NPC1RAB9A
SCHEMBL28598013 0.64 ALDH1A1 (0.50) ALDH1A1HPGDTP53NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036977-A2 COMBINATION THERAPIES WITH TOPIRAMATE FOR SEIZURES, RESTLESS LEGS SYNDROME, AND OTHER NEUROLOGICAL CONDITIONS NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 2010-04-01 WO disclosed
US-RE39300-E1 Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE OF VIRGINIA (US) 2006-09-19 US disclosed
EP-0938305-B1 METHOD OF ALLEVIATING PAIN BY MEANS OF COMBINING TRAMADOL WITH AN NMDA ANTAGONIST ALGOS PHARM CORP (US) 2005-08-17 EP disclosed
EP-0942752-B1 ANTICONVULSANT CONTAINING COMPOSITION FOR TREATING NEUROPATHIC PAIN ALGOS PHARM CORP (US) 2005-04-20 EP disclosed
EP-0778770-B1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER UNIV VIRGINIA COMMONWEALTH (US) 2003-12-10 EP disclosed
US-6406716-B2 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2002-06-18 US disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
US-20010008889-A1 Anticonvulsant containing composition for treating neuropathic pain ENDO PHARMACEUTICALS INC. 2001-07-19 US disclosed
US-6187338-B1 Anticonvulsant containing composition for treating neuropathic pain ALGOS PHARMACEUTICAL CORPORATION 2001-02-13 US disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-5834479-A ADMINISTERING NONSTEROIDAL ANTIINFLAMMATORY DRUG ALONG WITH ANALGESIA ENHANCER WHICH IS AN N-METHYL-D-ASPARTATE RECEPTOR BLOCKER JPMORGAN CHASE BANK 1998-11-10 US disclosed
WO-1998007447-A1 ANTICONVULSANT CONTAINING COMPOSITION FOR TREATING NEUROPATHIC PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-02-26 WO disclosed
US-5654281-A Inhibiting the development of tolerance to and/or dependence on an addictive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-08-05 US disclosed
EP-0778770-A1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER VIRGINIA COMMONWEALTH UNIVERSITY (US) 1997-06-18 EP disclosed
US-5556838-A BLOCKING N-METHYLASPARTATE RECEPTORS TO PREVENT ADDICTION VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-09-17 US disclosed
US-5502058-A Method for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-26 US disclosed
WO-1996007412-A1 COMPOSITION ALLEVIATING PAIN, CONTAINING A NON-NARCOTIC ANALGESIC AND AN ANALGESIA ENHANCER VIRGINIA COMMONWEALTH UNIVERSITY (US) 1996-03-14 WO disclosed
EP-0615749-A2 Use of NMDA antagonists for the treatment of pain VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-09-21 EP disclosed
EP-0608893-A1 Inhibiting the development of tolerance to and/or dependence on an additive substance VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-08-03 EP disclosed
US-5321012-A Inhibiting the development of tolerance to and/or dependence on a narcotic addictive substance VIRGINIA COMMONWEALTH UNIVERSITY MEDICAL COLLEGE (US) 1994-06-14 US disclosed