SCHEMBL7407154

SCHEMBL7407154

CCOC(=O)CC(NC(=O)CN1CCN(c2ccc(C(=N)N)cc2)C1=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.47
ITGA2B P08514 12/20 0.47
HDAC1 Q13547 2/20 0.42
ITGAV P06756 1/20 0.41
F2 P00734 4/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 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
SCHEMBL8539534 0.89 ITGB3 (0.60) ITGB3ITGA2BHDAC1ITGAV
SCHEMBL8539444 0.82 ITGB3 (0.47) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6984596 0.78 ITGB3 (0.76) ITGB3ITGA2BF2
SCHEMBL7380056 0.76 ITGB3 (0.60) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9052635 0.76 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL9394717 0.76 ITGB3 (0.60) ITGB3ITGA2BITGAVF2F10
SCHEMBL9394443 0.76 ITGB3 (0.60) ITGB3ITGA2BF2F10
SCHEMBL9394056 0.76 ITGB3 (0.55) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7387361 0.76 ITGB3 (0.60) ITGB3ITGA2BF2F10
SCHEMBL7398279 0.75 ITGB3 (0.62) ITGB3ITGA2BHDAC1F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US claimed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed