SCHEMBL7421024

SCHEMBL7421024

C#C[C@H](CC(=O)OCC)NC(=O)CC1CCCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.56
ITGA2B P08514 16/20 0.56
PRSS1 P07477 6/20 0.41
PRSS2 P07478 6/20 0.41
PRSS3 P35030 6/20 0.41
F10 P00742 4/20 0.41
F9 P00740 2/20 0.39
F2 P00734 1/20 0.37

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
SCHEMBL7421020 1.00 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7421029 1.00 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7423392 0.95 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7423399 0.95 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7423406 0.95 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8115190 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8115192 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7527535 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7426412 0.89 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7418867 0.88 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3

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-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
JP-3034046-B2 2000-04-17 JP claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed