SCHEMBL8551089

SCHEMBL8551089

O=C(OC1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
CHRM2 P08172 4/20 0.56
CHRM3 P20309 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
BCHE P06276 1/20 0.55
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
DRD4 P21917 1/20 0.50
OPRK1 P41145 1/20 0.50

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
Hydrochloric Acid SCHEMBL8554706 0.99 KMT2A (0.58) CARM1PRMT6SIGMAR1CHRM2CHRM3
SCHEMBL8549828 0.95 CHRM2 (0.59) CARM1PRMT6SIGMAR1CHRM2CHRM3
Hydrochloric Acid SCHEMBL8556272 0.94 CHRM2 (0.58) CARM1PRMT6SIGMAR1CHRM2CHRM3
SCHEMBL8550490 0.91 BCHE (0.65) CARM1PRMT6CHRM2CHRM3KMT2A
Hydrochloric Acid SCHEMBL8556315 0.89 MEN1 (0.65) CARM1PRMT6CHRM2CHRM3KMT2A
SCHEMBL8555980 0.89 ADRB2 (0.56) SIGMAR1
SCHEMBL8549980 0.89 GPR183 (0.60) SIGMAR1CHRM2CHRM3CYP2D6CYP2C19
SCHEMBL8550706 0.88 DRD2 (0.62) CARM1PRMT6SIGMAR1CHRM2CHRM3
SCHEMBL8552224 0.88 CARM1 (0.58) CARM1PRMT6SIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL8550562 0.88 ADRB2 (0.55) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084329-C Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2002-05-08 CN claimed
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP claimed
CN-1183768-A Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 1998-06-03 CN claimed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO claimed
CN-1084329-C Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2002-05-08 CN disclosed
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP disclosed
CN-1183768-A Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 1998-06-03 CN disclosed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US disclosed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO disclosed