SCHEMBL9336643

SCHEMBL9336643

OCc1cnccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.53
MAPK14 Q16539 8/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
SLC22A12 Q96S37 1/20 0.42
GCGR P47871 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DPP4 P27487 1/20 0.40
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL17091623 0.85 CYP11B2 (0.54) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL3719117 0.84 LOXL2 (0.52) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL3820660 0.81 RPS6KA3 (0.44) RPS6KA3MAPK14SLC22A12GCGRCYP11B1
SCHEMBL5108906 0.81 GPBAR1 (0.48) RPS6KA3CYP11B1CYP11B2
SCHEMBL30944265 0.79 CSNK1D (0.65) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL24038370 0.76 RPS6KA3 (0.59) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL27958552 0.76 RPS6KA3 (0.41) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL25126205 0.74 GRM2 (0.44) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL31470912 0.73 RPS6KA3 (0.61) RPS6KA3MAPK14MAPK13MAPK12MAPK11
SCHEMBL23557736 0.73 MAPK14 (0.52) RPS6KA3MAPK14MAPK13MAPK12MAPK11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300617-B1 Process for preparing aryl-piperidine carbinols BEECHAM GROUP PLC (GB) 1994-05-18 EP disclosed
US-5039803-A Reduction, quaternization; selective production of cis isomer; antidepressants BEECHAM PHARMACEUTICALS (GB) 1991-08-13 US disclosed
EP-0300617-A1 Process for preparing aryl-piperidine carbinols BEECHAM GROUP PLC (GB) 1989-01-25 EP disclosed