SCHEMBL7916977

SCHEMBL7916977

CN1Cc2cc(C(=O)N3CCC(C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.74
ITGA2B P08514 11/20 0.74
ITGAV P06756 16/20 0.67

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
SCHEMBL7922626 0.93 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL6676238 0.86 ITGB3 (0.78) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL29596 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL6673166 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7922603 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAV
Lotrafiban SCHEMBL4432242 0.84 ITGB3 (0.96) ITGB3ITGA2BITGAV
SCHEMBL8525117 0.83 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7499918 0.80 ITGB3 (0.85) ITGB3ITGA2BITGAV
SCHEMBL7922504 0.79 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7493688 0.79 ITGB3 (0.74) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225465-B1 REACTING BENZOAZEPINE OR BENZODIAZEPINE DERIVATIVE WITH PROTECTED AMINE IN PRESENCE OF PALLADIUM CATALYST IN PRESENCE OF CARBON MONOXIDE, REMOVING PROTECTING GROUPS SMITHKLINE BEECHAM PLC (GB) 2001-05-01 US disclosed