SCHEMBL15949262

SCHEMBL15949262

Cc1cc(/C(C[C@H](c2ccc(N3CCC(OC(=O)O)CC3)cc2)c2ccc(F)cc2F)=N/O)ccn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.65
HRH3 Q9Y5N1 1/20 0.35
ACACB O00763 5/20 0.34
GPR6 P46095 6/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL15949197 1.00 GPBAR1 (0.65) GPBAR1HRH3ACACBGPR6KDM5A
SCHEMBL1389809 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL1390177 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL365323 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL1389810 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL1390182 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL363896 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL1389807 0.91 GPBAR1 (0.69) GPBAR1GPR6F10
SCHEMBL1390414 0.89 GPBAR1 (0.65) GPBAR1
SCHEMBL364437 0.89 GPBAR1 (0.65) GPBAR1

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed