SCHEMBL10901966

SCHEMBL10901966

Cc1ccc2coc(C3CCNCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR1A P08908 2/20 0.36
PLG P00747 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
USP7 Q93009 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL10902855 0.88 HTR2C (0.44) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10898428 0.82 NPC1 (0.42) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2874838 0.81 PLG (0.38) HTR2CPLGGABRA1GABRG2GABRB3
SCHEMBL10902053 0.81 HTR2C (0.48) HTR2CHTR1AMEN1KMT2A
SCHEMBL10903297 0.81 QDPR (0.36) PLG
Hydrochloric Acid SCHEMBL10321362 0.80 HTR2C (0.39) HTR2CPLGGABRA1GABRG2GABRB3
SCHEMBL3509594 0.78 GABRA1 (0.48) HTR2CGABRA1GABRG2GABRB3BCHE
SCHEMBL10900555 0.77 PLG (0.35) HTR2CPLGGABRA1GABRG2GABRB3
SCHEMBL10902994 0.75 HTR2C (0.42) HTR2C
SCHEMBL4503187 0.73 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US claimed
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