SCHEMBL6946884

SCHEMBL6946884

N=C(N)NCCCCCC(=O)NCC(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.55
ITGA2B P08514 10/20 0.55
ITGAV P06756 8/20 0.51
ITGB5 P18084 3/20 0.51
ITGB6 P18564 3/20 0.51
TBXAS1 P24557 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4924076 0.99 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6950480 0.96 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL243197 0.91 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6953427 0.89 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6946962 0.88 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6952526 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7403227 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVTBXAS1SUCNR1
SCHEMBL6947579 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL4924109 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6949822 0.83 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB5ITGB6

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