SCHEMBL7310417

SCHEMBL7310417

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccc5ccccc45)cc3)C(=O)O2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
BACE1 P56817 1/20 0.40
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
F10 P00742 9/20 0.37
SIGMAR1 Q99720 3/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL7639414 0.94 ITGB3 (0.44) ITGB3ITGA2BBACE1PRSS1PRSS2
SCHEMBL7303546 0.93 ITGB3 (0.45) ITGB3ITGA2BBACE1PRSS1PRSS2
SCHEMBL6600817 0.91 ITGB3 (0.59) ITGB3ITGA2BBACE1PRSS1PRSS2
SCHEMBL7310705 0.90 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308369 0.90 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601618 0.87 ITGB3 (0.50) ITGB3ITGA2BBACE1PRSS1PRSS2
SCHEMBL7303544 0.87 ITGB3 (0.44) ITGB3ITGA2BBACE1PRSS1PRSS2
SCHEMBL7313929 0.87 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7306241 0.86 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7309241 0.86 ITGB3 (0.52) 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