SCHEMBL6601178

SCHEMBL6601178

COC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
SIGMAR1 Q99720 17/20 0.43

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
SCHEMBL6603912 0.94 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1
SCHEMBL6605686 0.94 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1
SCHEMBL7639745 0.93 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1
SCHEMBL6602882 0.93 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1
SCHEMBL7314863 0.92 SIGMAR1 (0.42) ITGB3ITGA2BSIGMAR1
SCHEMBL6604884 0.92 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1
SCHEMBL6600248 0.91 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1
SCHEMBL6602794 0.89 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1
SCHEMBL6599464 0.88 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1
SCHEMBL7633368 0.88 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed