SCHEMBL27363029

SCHEMBL27363029

NCc1ccc(N2CC(CN3CCC(C(F)C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
SIGMAR1 Q99720 14/20 0.43
F10 P00742 3/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
F2 P00734 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL27356121 0.91 GRM2 (0.42) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL27373853 0.89 SIGMAR1 (0.39) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8948669 0.89 SIGMAR1 (0.43) ITGB3ITGA2BSIGMAR1F10GRM2
SCHEMBL27419425 0.86 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8948665 0.84 F10 (0.52) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8948621 0.84 F10 (0.52) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8310900 0.84 F10 (0.52) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8315207 0.82 SIGMAR1 (0.45) ITGB3ITGA2BSIGMAR1F10PRSS1
SCHEMBL8316462 0.82 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10GRM2
SCHEMBL8312579 0.82 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1F10GRM2

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
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed