SCHEMBL7382602

SCHEMBL7382602

Cc1ccccc1NC(=O)Nc1ccc(CN2C(=O)N([C@@H](CC(C)C)C(=O)NC(C)CC(=O)O)C(=O)C23CCCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.43
ITGA4 P13612 20/20 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
SCHEMBL7100078 1.00 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL1821102 1.00 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7103788 0.99 ITGB1 (0.44) ITGB1ITGA4
Tromethamine SCHEMBL1816081 0.95 ITGB1 (0.41) ITGB1ITGA4
SCHEMBL1816355 0.94 LMNA (0.38) ITGB1ITGA4
SCHEMBL1818531 0.94 LMNA (0.38) ITGB1ITGA4
SCHEMBL1819530 0.93 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL1818168 0.93 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7100129 0.93 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7103773 0.93 ITGB1 (0.47) ITGB1ITGA4

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-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO disclosed