SCHEMBL6606300

SCHEMBL6606300

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccc(C)c4)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
PRSS1 P07477 6/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
F10 P00742 7/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
GRM2 Q14416 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6601813 0.93 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602167 0.93 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602123 0.93 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602638 0.92 ITGB3 (0.60) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601675 0.92 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6603444 0.92 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600851 0.92 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6614704 0.92 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600534 0.91 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600725 0.91 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3

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