SCHEMBL7308006

SCHEMBL7308006

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
PRSS1 P07477 8/20 0.43
PRSS2 P07478 8/20 0.43
PRSS3 P35030 8/20 0.43
F10 P00742 10/20 0.39
SIGMAR1 Q99720 4/20 0.39
GRM2 Q14416 1/20 0.38
HTR2B P41595 1/20 0.36

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
SCHEMBL7307280 0.92 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313896 0.92 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7314885 0.92 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7310115 0.92 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7309753 0.91 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304015 0.91 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304334 0.91 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7303544 0.90 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308685 0.90 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601671 0.89 ITGB3 (0.51) 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 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