SCHEMBL7385682

SCHEMBL7385682

N=C(N)c1ccc(CCCCNC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.73
ITGA2B P08514 7/20 0.73
EPHX2 P34913 8/20 0.56
F10 P00742 2/20 0.48
PRSS1 P07477 1/20 0.48
CCR3 P51677 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL7386316 0.89 ITGB3 (0.59) ITGB3ITGA2BEPHX2F10
SCHEMBL7385706 0.87 F2 (0.60) ITGB3ITGA2BEPHX2F10PRSS1
SCHEMBL7384201 0.84 ITGB3 (1.00) ITGB3ITGA2BF10
SCHEMBL9293681 0.84 ITGB3 (0.54) ITGB3ITGA2BEPHX2F10PRSS1
SCHEMBL7384435 0.83 ITGB3 (0.71) ITGB3ITGA2BEPHX2
SCHEMBL7383400 0.81 ITGB3 (0.55) ITGB3ITGA2BF10
SCHEMBL7383847 0.81 EPHX2 (0.57) ITGB3ITGA2BEPHX2CCR3
SCHEMBL7385683 0.81 EPHX2 (0.54) ITGB3ITGA2BEPHX2CCR3THRB
SCHEMBL9386338 0.81 ITGB3 (0.64) ITGB3ITGA2BF10
SCHEMBL7384465 0.80 ITGB3 (0.54) ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US claimed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO claimed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US claimed
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed