SCHEMBL8948665

SCHEMBL8948665

NCc1ccc(N2C[C@H](CN3CCC(C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.52
ITGB3 P05106 10/20 0.52
ITGA2B P08514 10/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
F2 P00734 3/20 0.52
SIGMAR1 Q99720 6/20 0.46
GRM2 Q14416 1/20 0.43

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
SCHEMBL8948621 1.00 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8310900 1.00 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL27446990 0.90 ITGB3 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8311318 0.88 F10 (0.49) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948614 0.88 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948719 0.88 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8314782 0.88 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8315207 0.87 SIGMAR1 (0.45) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316462 0.86 SIGMAR1 (0.46) F10ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8310904 0.86 SIGMAR1 (0.46) F10ITGB3ITGA2BSIGMAR1GRM2

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