SCHEMBL10902855

SCHEMBL10902855

Cc1ccc2c(C3CCNCC3)occ2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
PLG P00747 3/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR1A P08908 1/20 0.36
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 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

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
SCHEMBL10901966 0.88 HTR2C (0.44) HTR2CPLGSLC6A2SLC6A4SLC6A3
SCHEMBL10902522 0.82 CDC7 (0.40) PLGSLC6A4GABRA1GABRG2GABRB3
SCHEMBL10902292 0.82 MPO (0.41) SLC6A2SLC6A4SLC6A3HTR1ABCHE
SCHEMBL10901738 0.82 NPC1 (0.42) SLC6A2SLC6A4SLC6A3HTR1AGABRA1
SCHEMBL2874838 0.81 PLG (0.38) HTR2CPLGGABRA1GABRG2GABRB3
SCHEMBL3891711 0.81 HTR2C (0.48) HTR2CHTR1AMEN1KMT2A
SCHEMBL10902493 0.81 CHRM2 (0.37) PLGCYP2D6
Hydrochloric Acid SCHEMBL10321362 0.80 HTR2C (0.39) HTR2CPLGGABRA1GABRG2GABRB3
SCHEMBL10898355 0.78 HTR2C (0.49) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10901664 0.78 QDPR (0.42) HTR2CSLC6A2SLC6A4SLC6A3CYP2D6

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