SCHEMBL6947579

SCHEMBL6947579

NN=CNCCCCCC(=O)NCC(=O)NC(CC(=O)O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGAV P06756 9/20 0.51
ITGA2B P08514 8/20 0.51
ITGB5 P18084 4/20 0.51
ITGB6 P18564 4/20 0.51
SUCNR1 Q9BXA5 2/20 0.42
TBXAS1 P24557 1/20 0.40
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL4924109 0.99 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6950494 0.96 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6946972 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7403231 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BSUCNR1TBXAS1
SCHEMBL6946884 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4924076 0.84 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6948963 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6954777 0.81 FOLH1 (0.47) TBXAS1MAPTCYP3A4PTAFR
SCHEMBL7766464 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6950480 0.81 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5ITGB6

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