SCHEMBL7385808

SCHEMBL7385808

N=C(N)c1ccc(CCCCNC(=O)NCCC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.76
ITGA2B P08514 15/20 0.76
ST14 Q9Y5Y6 2/20 0.54
S1PR1 P21453 1/20 0.51
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.44

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
SCHEMBL7389300 0.86 ITGB3 (1.00) ITGB3ITGA2BST14LMNATSHR
SCHEMBL7383404 0.85 ITGB3 (0.60) ITGB3ITGA2BST14S1PR1LMNA
SCHEMBL7384469 0.84 ITGB3 (0.59) ITGB3ITGA2BST14S1PR1LMNA
SCHEMBL7387496 0.83 ITGB3 (0.54) ITGB3ITGA2BST14
SCHEMBL7379988 0.83 ITGB3 (0.88) ITGB3ITGA2BST14LMNATSHR
SCHEMBL289158 0.82 ITGB3 (0.74) ITGB3ITGA2BST14
SCHEMBL12348109 0.82 EPHX2 (0.63) ITGB3ITGA2BST14EPHX2
SCHEMBL7421017 0.81 ITGB3 (0.61) ITGB3ITGA2BST14S1PR1
SCHEMBL7422860 0.81 ITGB3 (0.61) ITGB3ITGA2BST14S1PR1
SCHEMBL7412408 0.81 ITGB3 (0.61) ITGB3ITGA2BST14LMNATSHR

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-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