SCHEMBL29915673

SCHEMBL29915673

CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)ccc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
PDK4 Q16654 1/20 0.53
NAMPT P43490 1/20 0.47
HTR6 P50406 1/20 0.46
GRM1 Q13255 8/20 0.46
GRM5 P41594 7/20 0.46
JAK1 P23458 1/20 0.46
WDR5 P61964 2/20 0.44
SOS1 Q07889 1/20 0.44
ELANE P08246 1/20 0.43
SCN9A Q15858 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
SCHEMBL17222992 1.00 CNR1 (0.53) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL17223000 0.88 GRM1 (0.54) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL29915697 0.88 GRM1 (0.54) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL23240953 0.85 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL4321326 0.85 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL20503437 0.85 PDK4 (0.51) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL15556190 0.84 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL31342210 0.84 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL25358657 0.84 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL5106249 0.84 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1

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-111393434-B Substituted 4-phenylpiperidines, their preparation and use 哥伦比亚大学董事会 2022-11-04 CN disclosed