SCHEMBL6601465

SCHEMBL6601465

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.60
ITGA2B P08514 7/20 0.60
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
SIGMAR1 Q99720 8/20 0.42
F10 P00742 5/20 0.41
HTR1A P08908 1/20 0.39
GRM2 Q14416 1/20 0.39
P2RY12 Q9H244 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
SCHEMBL7634011 0.93 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6605806 0.93 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1HTR1AGRM2
SCHEMBL6601206 0.93 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6605691 0.92 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601822 0.91 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601484 0.91 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600986 0.91 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308369 0.91 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601751 0.91 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1HTR1AGRM2
SCHEMBL6602415 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1F10HTR1A

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