SCHEMBL10899401

SCHEMBL10899401

Cc1cc2coc(C3CCN(C)CC3)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.36
QDPR P09417 2/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
USP7 Q93009 1/20 0.31

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
SCHEMBL10901737 0.88 PLG (0.33) PLGQDPRUSP7
SCHEMBL10902493 0.82 CHRM2 (0.37) PLGQDPRCHRM2CHRM4CHRM5
SCHEMBL10903297 0.82 QDPR (0.36) PLGQDPRCHRM2CHRM4CHRM5
SCHEMBL10899303 0.81 TLR9 (0.37) CYP2D6
SCHEMBL10901823 0.81 QDPR (0.43) QDPREHMT2EHMT1
SCHEMBL2874838 0.79 PLG (0.38) PLGHTR2CUSP7
SCHEMBL10901652 0.79 CHRM4 (0.39) CHRM4GAA
SCHEMBL10906165 0.79 MAOB (0.38)
Hydrochloric Acid SCHEMBL10321362 0.78 HTR2C (0.39) PLGHTR2CUSP7
SCHEMBL10902920 0.78 DRD2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed