SCHEMBL7310657

SCHEMBL7310657

CCOC(=O)COC1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(C3=NOC(c4ccccc4)N3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.57
ITGA2B P08514 6/20 0.57
P2RY12 Q9H244 5/20 0.41
FPR2 P25090 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CCR1 P32246 1/20 0.39
CYP51A1 Q16850 1/20 0.39

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
SCHEMBL7310059 0.96 ITGB3 (0.64) ITGB3ITGA2BP2RY12FPR2CCR1
SCHEMBL7307129 0.90 ITGB3 (0.60) ITGB3ITGA2BP2RY12CCR1
SCHEMBL7317008 0.85 ITGB3 (0.45) ITGB3ITGA2BP2RY12GAA
SCHEMBL7317003 0.85 ITGB3 (0.43) ITGB3ITGA2BP2RY12
SCHEMBL7307131 0.81 ITGB3 (0.41) ITGB3ITGA2BGAA
SCHEMBL7308440 0.78 ITGB3 (0.70) ITGB3ITGA2BP2RY12FPR2GAA
SCHEMBL7310664 0.78 ITGB3 (0.38) ITGB3ITGA2BGAA
SCHEMBL7310063 0.77 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7310770 0.74 ITGB3 (0.78) ITGB3ITGA2BFPR2CCR1
SCHEMBL7317284 0.72 CTSL (0.42)

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
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed