SCHEMBL8551618

SCHEMBL8551618

Cc1cccc(C(=O)OC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.56
BCHE P06276 2/20 0.55
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
DCUN1D1 Q96GG9 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
BACE1 P56817 2/20 0.52
ACHE P22303 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 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 SCHEMBL8551962 0.99 OPRK1 (0.55) OPRK1BCHECARM1PRMT6DCUN1D1
SCHEMBL27383438 0.90 BCHE (0.57) OPRK1BCHECARM1PRMT6MEN1
SCHEMBL8550490 0.87 BCHE (0.65) OPRK1BCHECARM1PRMT6MEN1
SCHEMBL8551006 0.87 BCHE (0.59) OPRK1BCHECARM1PRMT6MEN1
SCHEMBL8551383 0.86 CARM1 (0.60) BCHECARM1PRMT6MEN1KMT2A
SCHEMBL8550662 0.86 SCN1A (0.63) BCHECARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL8556315 0.86 MEN1 (0.65) OPRK1BCHECARM1PRMT6MEN1
SCHEMBL8553497 0.86 OPRK1 (0.62) OPRK1MEN1KMT2AACHEKDM4E
SCHEMBL8551771 0.86 SIGMAR1 (0.65) OPRK1BCHECARM1PRMT6MEN1
SCHEMBL8549751 0.86 KMT2A (0.65) OPRK1BCHECARM1PRMT6MEN1

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-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US 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