SCHEMBL8316433

SCHEMBL8316433

O=C(O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)CC2=O)cc1Cc1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 1/20 0.31
HTR2B P41595 1/20 0.31
ITGAV P06756 1/20 0.31
NAMPT P43490 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL8317333 0.96 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL8317905 0.90 ITGB3 (0.38) ITGB3ITGA2BPDE4BHTR2BITGAV
SCHEMBL8319280 0.89 PDE4D (0.36) KDM4EMAPTPDE4B
Trifluoroacetic Acid SCHEMBL8319835 0.86 ITGB3 (0.37) ITGB3ITGA2BPDE4BITGAV
SCHEMBL9030587 0.84 ITGB3 (0.50) ITGB3ITGA2BKDM4EALDH1A1MAPT
SCHEMBL8316420 0.82 TBXAS1 (0.45) ITGB3ITGA2BALDH1A1
SCHEMBL8319204 0.81 ITGB3 (0.35) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL9029743 0.80 ITGB3 (0.48) ITGB3ITGA2BPDE4B
SCHEMBL8318295 0.80 PDE4D (0.36) KDM4EMAPTPDE4B
Trifluoroacetic Acid SCHEMBL8317327 0.79 TBXAS1 (0.42) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP claimed