SCHEMBL9011348

SCHEMBL9011348

CN1C=CCC(C(=O)NCCc2ccccc2)=C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
LIPG Q9Y5X9 1/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL9011332 0.88 KDM4E (0.49) RAB9ANPC1LIPGSMN1; SMN2MAPT
SCHEMBL10666661 0.87 NPC1 (0.38) RAB9ANPC1LIPGMAPTKDM4E
SCHEMBL9011159 0.83 RAB9A (0.56) RAB9ANPC1LIPGSMN1; SMN2L3MBTL1
SCHEMBL9011183 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9011262 0.78 TRPV1 (0.49) SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL8510189 0.76 KMT2A (0.39) SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL9011143 0.74 MAPT (0.56) RAB9ANPC1LIPGSMN1; SMN2MAPT
SCHEMBL9554890 0.71 ALDH1A1 (0.46) L3MBTL1HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL9011221 0.70 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL9869767 0.69 HDAC3 (0.49) L3MBTL1HDAC2HDAC8HDAC6TAAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
US-4479932-A DIHYDROPYRIDINE PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1984-10-30 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed