SCHEMBL10898428

SCHEMBL10898428

Clc1ccc2coc(C3CCNCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRA1 P14867 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
KCNH2 Q12809 1/20 0.40
HTR3A P46098 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 4/20 0.37
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL10901738 0.88 NPC1 (0.42) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL10901966 0.82 HTR2C (0.44) GABRA1GABRG2GABRB3KMT2ASLC6A4
SCHEMBL10899848 0.79 HRH4 (0.40) HTR3A
SCHEMBL10902053 0.78 HTR2C (0.48) KMT2AHTR1AHTR2C
SCHEMBL3509594 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3KCNH2BCHE
SCHEMBL10900555 0.77 PLG (0.35) GABRA1GABRG2GABRB3HTR2C
SCHEMBL2874838 0.75 PLG (0.38) GABRA1GABRG2GABRB3BCHEACHE
Hydrochloric Acid SCHEMBL10321362 0.74 HTR2C (0.39) GABRA1GABRG2GABRB3BCHEACHE
SCHEMBL10902522 0.73 CDC7 (0.40) GABRA1GABRG2GABRB3SLC6A4BCHE
SCHEMBL10902292 0.73 MPO (0.41) KCNH2SLC6A4SLC6A2SLC6A3HTR1A

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 6 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
EP-0011606-A2 Pharmaceutical compositions with central depressing and antipsychotic activity CIBA-GEIGY AG (CH) 1980-05-28 EP claimed
US-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4284638-A Pharmaceutical compositions with central depressant and antipsychotic activity having a butyrophenone derivative which is substituted in the 4-position and a C-(2-benzofuranyl)-piperidine or C-(2-benzofuranyl)-tetrahydro-pyridine CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
EP-0011606-A2 Pharmaceutical compositions with central depressing and antipsychotic activity CIBA-GEIGY AG (CH) 1980-05-28 EP disclosed