SCHEMBL7330285

SCHEMBL7330285

COC(=O)CCN1CCCc2ccc(OCc3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
MAOA P21397 5/20 0.57
S1PR1 P21453 3/20 0.46
AOC3 Q16853 2/20 0.46
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
HRH3 Q9Y5N1 1/20 0.41
RAB9A P51151 2/20 0.41
SMPD1 P17405 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 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
SCHEMBL7323417 0.81 AOC3 (0.51) AOC3
SCHEMBL7331989 0.78 AOC3 (0.47) AOC3
SCHEMBL4423740 0.78 ITGB3 (0.56) MAOBMAOAAOC3ITGB3ITGA2B
SCHEMBL4419593 0.77 ITGB3 (0.72) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL6717411 0.75 HRH3 (0.50) MAOBMAOAHRH3RAB9APOLB
SCHEMBL7325324 0.73 ITGB3 (0.60) ITGB3ITGA2BRAB9ANPC1RXRA
SCHEMBL7329425 0.72 ITGB3 (0.43) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL14050021 0.71 MAPT (0.64) RAB9AKDM4ENPC1
SCHEMBL7328381 0.71 MAOB (0.41) MAOBMAOAITGB3ITGA2BHRH3
SCHEMBL7397188 0.71 MAOB (0.48) MAOBMAOAHRH3RAB9ASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed