SCHEMBL8948614

SCHEMBL8948614

N=C(N)Cc1ccc(N2C[C@@H](CN3CCC(C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGA2B P08514 14/20 0.56
F10 P00742 13/20 0.56
PRSS1 P07477 7/20 0.56
PRSS2 P07478 7/20 0.56
PRSS3 P35030 7/20 0.56
F2 P00734 3/20 0.56
SIGMAR1 Q99720 4/20 0.44

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
SCHEMBL8314782 1.00 ITGB3 (0.56) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8948719 1.00 ITGB3 (0.56) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8313192 0.88 ITGB3 (0.66) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8310900 0.88 F10 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8948665 0.88 F10 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8948621 0.88 F10 (0.52) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8317559 0.88 F10 (0.59) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8314784 0.87 SIGMAR1 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8311141 0.87 SIGMAR1 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL27446990 0.87 ITGB3 (0.51) 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed