SCHEMBL8879339

SCHEMBL8879339

N=C(N)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.66
ITGA2B P08514 7/20 0.66
F10 P00742 1/20 0.51
ERAP2 Q6P179 1/20 0.50
P2RY12 Q9H244 1/20 0.49
HPGDS O60760 1/20 0.49
CCKBR P32239 3/20 0.48
FPR2 P25090 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 1/20 0.47
TACR1 P25103 1/20 0.47

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
SCHEMBL7282972 0.85 ITGB3 (0.86) ITGB3ITGA2BF10KMT2A
SCHEMBL8881734 0.82 NMBR (0.58) FPR2MEN1KMT2ATACR1
SCHEMBL7276540 0.82 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7283177 0.82 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL8689594 0.81 DPP4 (0.56) MEN1KMT2A
SCHEMBL8689586 0.81 DPP4 (0.56) MEN1KMT2A
SCHEMBL8379088 0.81 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7294041 0.81 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL8882836 0.80 ITGB3 (0.75) ITGB3ITGA2B
Lamifiban SCHEMBL4683 0.80 ITGB3 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed