SCHEMBL7307280

SCHEMBL7307280

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
F10 P00742 6/20 0.40
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
HTR1A P08908 2/20 0.38
SIGMAR1 Q99720 4/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
GRM2 Q14416 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL7308006 0.92 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6605686 0.90 ITGB3 (0.48) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7303544 0.90 ITGB3 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7313896 0.89 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7314885 0.88 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7304334 0.87 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7310115 0.87 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7308369 0.87 ITGB3 (0.50) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7308685 0.87 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7309753 0.86 ITGB3 (0.47) 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 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