SCHEMBL8550677

SCHEMBL8550677

Nc1cccc(C(=O)OC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.61
BCHE P06276 4/20 0.55
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47

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 SCHEMBL8681830 0.99 OPRK1 (0.60) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8553154 0.93 OPRK1 (0.58) OPRK1BCHECARM1PRMT6DRD2
Hydrochloric Acid SCHEMBL8549742 0.92 OPRK1 (0.57) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8550490 0.87 BCHE (0.65) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8551006 0.87 BCHE (0.59) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8553724 0.86 BCHE (0.58) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8553941 0.86 CARM1 (0.57) OPRK1BCHECARM1PRMT6DRD2
Hydrochloric Acid SCHEMBL8556315 0.86 MEN1 (0.65) OPRK1BCHECARM1PRMT6DRD2
SCHEMBL8549751 0.86 KMT2A (0.65) OPRK1BCHECARM1PRMT6DRD4
SCHEMBL8551771 0.86 SIGMAR1 (0.65) OPRK1BCHECARM1PRMT6KMT2A

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