SCHEMBL6985594

SCHEMBL6985594

Cc1cc(NC(=O)CCC(=O)NCC(C(=O)O)c2cc[nH]n2)ccc1C(=N)N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7086228 0.83 ITGB3 (0.39) ITGB3ITGA2BPOLBKMT2A
SCHEMBL6985587 0.81 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL6985138 0.77 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL6980649 0.73 ADORA2A (0.41) ITGB3ITGA2BPOLBGAAMAPT
SCHEMBL6979019 0.71 ITGB3 (0.39) ITGB3ITGA2BPOLBALDH1A1GAA
SCHEMBL9263893 0.70 KLK1 (0.38) ITGB3ITGA2B
SCHEMBL9558961 0.67 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7345129 0.66 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8077542 0.66 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7347948 0.66 ITGB3 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed