SCHEMBL7399588

SCHEMBL7399588

O=C(O)COc1ccc2c(=O)c(N3CCN(c4ccncc4)CC3)cn(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
PLA2G4A P47712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
F10 P00742 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PLA2G2A P14555 1/20 0.39
HRH1 P35367 1/20 0.39
KHK P50053 1/20 0.39
PSEN1 P49768 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
SCHEMBL8635323 0.87 CNR1 (0.49) CNR1CNR2ALDH1A1MAPTPLA2G2A
SCHEMBL7401051 0.84 DRD4 (0.42) THRBMAPTPLA2G2AKHK
Trifluoroacetic Acid SCHEMBL8698735 0.78 SERPINE1 (0.41) CNR2THRBMAPT
SCHEMBL7396359 0.73 CNR1 (0.52) CNR1CNR2ALDH1A1PLA2G2A
SCHEMBL7402500 0.72 METAP1 (0.51) METAP1ITGB3ITGA2BMAPTHRH3
SCHEMBL7440853 0.71 CNR1 (0.52) CNR1CNR2ALDH1A1PLA2G2A
SCHEMBL7392232 0.66 HRH3 (0.54) ITGB3ITGA2BMAPTF10HRH3
SCHEMBL7402423 0.66 USP2 (0.54) ITGB3ITGA2BTHRBALDH1A1MAPT
SCHEMBL7403661 0.66 MCHR1 (0.48) METAP1ITGB3ITGA2BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7402791 0.65 THRB (0.58) ITGB3ITGA2BTHRBHRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed