SCHEMBL8552933

SCHEMBL8552933

COc1ccc(CN2CCC(OC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
CHRM2 P08172 1/20 0.59
CHRM3 P20309 1/20 0.59
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
BCHE P06276 2/20 0.56
ACHE P22303 1/20 0.56
DRD4 P21917 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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 SCHEMBL8554807 0.99 MEN1 (0.59) SIGMAR1CHRM2CHRM3CARM1PRMT6
SCHEMBL8553137 0.95 SIGMAR1 (0.60) SIGMAR1CHRM2CHRM3BCHEACHE
Hydrochloric Acid SCHEMBL8553721 0.94 SIGMAR1 (0.58) SIGMAR1CHRM2CHRM3MEN1KMT2A
SCHEMBL8550490 0.88 BCHE (0.65) CHRM2CHRM3CARM1PRMT6MEN1
SCHEMBL8551383 0.88 CARM1 (0.60) CARM1PRMT6MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8556315 0.87 MEN1 (0.65) CHRM2CHRM3CARM1PRMT6MEN1
SCHEMBL8553497 0.87 OPRK1 (0.62) SIGMAR1MEN1KMT2AACHESMN1; SMN2
Hydrochloric Acid SCHEMBL8552406 0.86 MEN1 (0.61) CARM1PRMT6MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8553648 0.86 OPRK1 (0.61) SIGMAR1MEN1KMT2AACHESMN1; SMN2
SCHEMBL8552224 0.86 CARM1 (0.58) SIGMAR1CARM1PRMT6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP claimed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US 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