SCHEMBL6602167

SCHEMBL6602167

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
F10 P00742 10/20 0.46
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43
SIGMAR1 Q99720 2/20 0.40
F2 P00734 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 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
SCHEMBL6606300 0.93 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6604752 0.93 ITGB3 (0.59) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6601313 0.92 ITGB3 (0.53) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6601813 0.91 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6602123 0.91 ITGB3 (0.50) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6601675 0.91 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6600851 0.91 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6603444 0.91 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6614704 0.91 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6600725 0.90 ITGB3 (0.49) ITGB3ITGA2BF10PRSS1PRSS2

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