SCHEMBL8551873

SCHEMBL8551873

Cc1ccc(C(=O)OC2CCN(Cc3cccc(N)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
OPRK1 P41145 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
ACKR3 P25106 1/20 0.44
BCHE P06276 1/20 0.44
DRD4 P21917 1/20 0.44

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 SCHEMBL8554398 0.99 SCN1A (0.54) SCN1ASCN2ASCN3AOPRK1MEN1
SCHEMBL8553817 0.91 ALDH1A1 (0.54) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8553154 0.90 OPRK1 (0.58) SCN1ASCN2ASCN3AOPRK1MEN1
Hydrochloric Acid SCHEMBL8549742 0.89 OPRK1 (0.57) SCN1ASCN2ASCN3AOPRK1MEN1
SCHEMBL8552204 0.87 SCN1A (0.55) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8550697 0.87 SCN1A (0.55) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8551671 0.87 SCN1A (0.55) SCN1ASCN2ASCN3AKMT2A
SCHEMBL8552222 0.86 SCN1A (0.60) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8550662 0.86 SCN1A (0.63) SCN1ASCN2ASCN3AMEN1KMT2A
Hydrochloric Acid SCHEMBL8551715 0.86 KMT2A (0.57) SCN1ASCN2ASCN3AKMT2A

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 10 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
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