SCHEMBL6946972

SCHEMBL6946972

NN=CNCCCC(=O)NCCC(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.53
ITGA2B P08514 14/20 0.53
SUCNR1 Q9BXA5 2/20 0.43
ITGAV P06756 10/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41

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
SCHEMBL6950494 0.92 ITGB3 (0.51) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL4924109 0.90 ITGB3 (0.52) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL6947579 0.89 ITGB3 (0.51) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL7403231 0.85 ITGB3 (0.46) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6946962 0.84 ITGB3 (0.60) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL9390838 0.79 ITGB3 (0.58) ITGB3ITGA2BSUCNR1ITGAV
SCHEMBL6948963 0.77 ITGB3 (0.46) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL6950480 0.77 ITGB3 (0.57) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL7384981 0.76 ITGB3 (0.54) ITGB3ITGA2BSUCNR1ITGAVITGB5
SCHEMBL7388220 0.76 ITGB3 (0.48) ITGB3ITGA2BSUCNR1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP claimed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US claimed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US claimed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO claimed
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP disclosed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US disclosed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 WO disclosed