SCHEMBL8553941

SCHEMBL8553941

Nc1ccc(CN2CCC(OC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
OPRK1 P41145 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
BCHE P06276 3/20 0.55
CCR5 P51681 2/20 0.50
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
GAA P10253 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
ACHE P22303 1/20 0.48

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 SCHEMBL8555172 0.99 MEN1 (0.58) CARM1PRMT6SIGMAR1OPRK1MEN1
SCHEMBL8553724 0.95 BCHE (0.58) CARM1PRMT6SIGMAR1OPRK1MEN1
SCHEMBL8550490 0.91 BCHE (0.65) CARM1PRMT6OPRK1MEN1KMT2A
Hydrochloric Acid SCHEMBL8556315 0.89 MEN1 (0.65) CARM1PRMT6OPRK1MEN1KMT2A
SCHEMBL8552224 0.88 CARM1 (0.58) CARM1PRMT6SIGMAR1MEN1KMT2A
SCHEMBL8550706 0.88 DRD2 (0.62) CARM1PRMT6SIGMAR1MEN1KMT2A
SCHEMBL8552222 0.88 SCN1A (0.60) CARM1PRMT6SIGMAR1MEN1KMT2A
SCHEMBL8551089 0.87 CARM1 (0.57) CARM1PRMT6SIGMAR1OPRK1MEN1
Hydrochloric Acid SCHEMBL8552585 0.87 DRD2 (0.61) CARM1PRMT6SIGMAR1MEN1KMT2A
SCHEMBL8551383 0.87 CARM1 (0.60) CARM1PRMT6MEN1KMT2ABCHE

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