SCHEMBL7331503

SCHEMBL7331503

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CC(=O)O)C(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGB1 P05556 1/20 0.58
ITGAV P06756 1/20 0.58
ITGA5 P08648 1/20 0.58
MDM2 Q00987 1/20 0.58
ITGA2B P08514 11/20 0.52
MAPT P10636 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
NMBR P28336 2/20 0.47
GOT1 P17174 1/20 0.46

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
SCHEMBL7326462 1.00 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7443877 0.88 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7331527 0.85 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7323153 0.84 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7255952 0.76 NMBR (0.63) MEN1KMT2ANMBR
SCHEMBL7350160 0.76 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7350173 0.76 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL13717015 0.75 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7251691 0.74 NMBR (0.61) MEN1KMT2ANMBR
SCHEMBL8906481 0.74 ITGB3 (0.73) ITGB3ITGA2B

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-5550159-A Peptide mimics useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-08-27 US disclosed
US-5453440-A Amidine functional group on benzene ring, anticoagulants G. D. SEARLE & CO. (US) 1995-09-26 US disclosed
WO-1993018058-A1 PEPTIDES MIMICS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-09-16 WO disclosed