SCHEMBL6569433

SCHEMBL6569433

[CH](CCc1cccnc1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
HTT P42858 1/20 0.45
CYP2A6 P11509 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH1 P35367 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
G6PC1 P35575 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL6570898 0.80 ALDH1A1 (0.54) HTTL3MBTL1G6PC1NPC1ALDH1A1
SCHEMBL2884688 0.73 CHRNA7 (0.52) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL2886214 0.71 CYP2A6 (0.54) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL2886638 0.71 TDP1 (0.57) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL724866 0.71 CHRNA7 (0.74) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL29485692 0.71 CHRNA7 (0.74) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL868537 0.71 CHRNA7 (0.57) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL348856 0.71 CHRNA7 (0.57) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL6157916 0.71 CHRNA7 (0.57) CHRNA7CYP2A6L3MBTL1TDP1HRH1
SCHEMBL7241565 0.71 CHRNA7 (0.57) CHRNA7CYP2A6L3MBTL1TDP1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1178912-C Small molecule inhibitors of rotamase enzyme activity ������˹ҩƷ��˾ 2004-12-08 CN disclosed
CN-1542001-A Small molecule inhibitors of rotamase enzyme activity GPI����عɹ�˾ 2004-11-03 CN disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1107752-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-20 EP disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
US-6140357-A STIMULATING GROWTH OF DAMAGED PERIPHERAL NERVES BY ADMINISTERING TO DAMAGED PERIPHERAL NERVES NEUROTROPHIC N-GLYOXYLPROLYL ESTER COMPOUNDHAVING AN AFFINITY FOR IMMUNOPHILINS GPI NIL HOLDINGS, INC. (US) 2000-10-31 US disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 US disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
US-5795908-A FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS GPI NIL HOLDINGS, INC. (US) 1998-08-18 US disclosed
CN-1187188-A Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARM INC (US) 1998-07-08 CN disclosed
EP-0769006-A4 GUILFORD PHARM INC (US) 1997-05-28 EP disclosed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 EP disclosed