SCHEMBL7976214

SCHEMBL7976214

N=C(N)c1ccc(NC(=O)C2CCCN2C(=O)NC(CC(=O)O)c2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.62
ITGA2B P08514 14/20 0.62
F2 P00734 2/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PLAU P00749 1/20 0.42
HPN P05981 1/20 0.42

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
SCHEMBL7962531 0.89 ITGB3 (0.49) ITGB3ITGA2BF2LMNAPOLB
SCHEMBL7962544 0.85 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7972452 0.82 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL6975938 0.81 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7085479 0.81 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7391723 0.79 ITGB3 (0.79) ITGB3ITGA2BF2
SCHEMBL9397091 0.77 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL6978255 0.77 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7390910 0.76 ITGB3 (0.68) ITGB3ITGA2BF2
SCHEMBL7962515 0.76 ITGB3 (0.49) ITGB3ITGA2BLMNAPOLB

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-6268380-B1 E.G., ETHYL BETA-((N-3(((4(AMINOIMINOMETHYL)PHENYL)AMINO)CARBONYL)PIPERIDY LCARBONYL)AMINO)-3-PYRIDINEPROPANOATE G. D. SEARLE & CO. 2001-07-31 US claimed
WO-1994019341-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-01 WO claimed
US-6268380-B1 E.G., ETHYL BETA-((N-3(((4(AMINOIMINOMETHYL)PHENYL)AMINO)CARBONYL)PIPERIDY LCARBONYL)AMINO)-3-PYRIDINEPROPANOATE G. D. SEARLE & CO. 2001-07-31 US disclosed