SCHEMBL7388209

SCHEMBL7388209

CCOC(=O)CC(NC(=O)CCC(C)(C)NC(=O)Nc1ccc(C(=N)N)cc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 10/20 0.59
F7 P08709 5/20 0.40
F2 P00734 4/20 0.40
F10 P00742 3/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9390820 0.90 ITGB3 (0.74) ITGB3ITGA2BF7F2
SCHEMBL9389702 0.90 ITGB3 (0.74) ITGB3ITGA2BF7F2
SCHEMBL7389396 0.88 ITGB3 (0.64) ITGB3ITGA2BF7F2KMT2A
SCHEMBL6984596 0.88 ITGB3 (0.76) ITGB3ITGA2BF2
SCHEMBL7387014 0.87 ITGB3 (0.54) ITGB3ITGA2BF7F2F10
SCHEMBL7388004 0.86 ITGB3 (0.53) ITGB3ITGA2BF7F2F10
SCHEMBL7387994 0.86 ITGB3 (0.53) ITGB3ITGA2BF7F2F10
SCHEMBL9394443 0.85 ITGB3 (0.60) ITGB3ITGA2BF7F2F10
SCHEMBL7387361 0.85 ITGB3 (0.60) ITGB3ITGA2BF7F2F10
SCHEMBL7388211 0.83 ITGB3 (0.57) ITGB3ITGA2BF7F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994017041-A1 AMIDINOPHENYL SUBSTITUTED UREA, THIOUREA OR GUANIDINO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-04 WO claimed
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US disclosed
US-5475025-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1995-12-12 US disclosed
US-5314902-A Thioureas and guanidine compounds, anticoagulants MONSANTO COMPANY (US) 1994-05-24 US disclosed