SCHEMBL15949286

SCHEMBL15949286

Cc1cc(/C(C[C@H](c2ccc(N3CCC(OC(=O)O)CC3)cc2)c2ccc(Cl)cc2C)=N/O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.49
PROKR1 Q8TCW9 5/20 0.39
F10 P00742 3/20 0.33
F2 P00734 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
ACACB O00763 3/20 0.33
PRCP P42785 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL15949324 1.00 GPBAR1 (0.49) GPBAR1PROKR1F10F2PLAT
SCHEMBL364374 0.90 GPBAR1 (0.51) GPBAR1PROKR1F10F2PLAT
SCHEMBL1389686 0.90 GPBAR1 (0.51) GPBAR1PROKR1F10F2PLAT
SCHEMBL1390284 0.90 GPBAR1 (0.51) GPBAR1PROKR1F10F2PLAT
SCHEMBL15949212 0.90 GPBAR1 (0.62) GPBAR1ACACB
SCHEMBL362698 0.90 GPBAR1 (0.51) GPBAR1PROKR1F10F2PLAT
SCHEMBL15949317 0.90 GPBAR1 (0.62) GPBAR1ACACB
SCHEMBL15949197 0.87 GPBAR1 (0.65) GPBAR1F10ACACB
SCHEMBL15949262 0.87 GPBAR1 (0.65) GPBAR1F10ACACB
SCHEMBL15949294 0.82 GPBAR1 (0.59) GPBAR1ACACB

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