SCHEMBL7368068

SCHEMBL7368068

CN1c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.51
CCND1 P24385 17/20 0.51
NAMPT P43490 1/20 0.47
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL7367441 0.77 ITGB3 (0.64)
SCHEMBL7366389 0.75 TSHR (0.43)
SCHEMBL7078805 0.75 TSHR (0.43)
SCHEMBL7658169 0.74 ITGB3 (0.56)
SCHEMBL6335099 0.72 CDK4 (0.76) CDK4CCND1NAMPTTRPV1
SCHEMBL7368305 0.71 ITGB3 (0.60)
SCHEMBL13942053 0.71 CDK4 (0.93) CDK4CCND1NAMPTTRPV1
SCHEMBL13942052 0.71 CDK4 (0.85) CDK4CCND1NAMPTTRPV1
SCHEMBL13942584 0.70 CDK4 (0.88) CDK4CCND1TRPV1
SCHEMBL13943092 0.70 CDK4 (0.86) CDK4CCND1TRPV1

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
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed