SCHEMBL8551865

SCHEMBL8551865

O=C(OC1CCN(Cc2ccccc2)CC1)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.60
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 2/20 0.51

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 SCHEMBL8551643 0.99 BCHE (0.58) BCHESCN1ASCN2ASCN3AMEN1
SCHEMBL8550391 0.86 POLB (0.62) BCHESCN1ASCN2ASCN3A
SCHEMBL8551876 0.86 BCHE (0.58) BCHESCN1ASCN2ASCN3AKMT2A
SCHEMBL8551180 0.86 BCHE (0.58) BCHESCN1ASCN2ASCN3AMEN1
SCHEMBL8552461 0.86 BCHE (0.58) BCHESCN1ASCN2ASCN3AMEN1
SCHEMBL8551916 0.86 SIGMAR1 (0.62) BCHESCN1ASCN2ASCN3AMEN1
Hydrochloric Acid SCHEMBL8553248 0.85 BCHE (0.57) BCHESCN1ASCN2ASCN3AMEN1
Hydrochloric Acid SCHEMBL8552833 0.85 SIGMAR1 (0.61) BCHESCN1ASCN2ASCN3AMEN1
Hydrochloric Acid SCHEMBL8550401 0.85 BCHE (0.57) BCHESCN1ASCN2ASCN3AMEN1
Hydrochloric Acid SCHEMBL8556314 0.85 POLB (0.61) BCHESCN1ASCN2ASCN3AMEN1

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