SCHEMBL7308685

SCHEMBL7308685

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccco4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
PRSS1 P07477 8/20 0.41
PRSS2 P07478 8/20 0.41
PRSS3 P35030 8/20 0.41
F10 P00742 9/20 0.40
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7639235 0.94 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308006 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600383 0.90 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7314885 0.89 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304015 0.88 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304334 0.88 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7307280 0.87 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7306241 0.86 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313896 0.86 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7303544 0.86 ITGB3 (0.44) 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