SCHEMBL8552204

SCHEMBL8552204

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
DRD4 P21917 2/20 0.51
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
SIGMAR1 Q99720 4/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
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

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 SCHEMBL8554885 0.99 SCN1A (0.54) SCN1ASCN2ASCN3ADRD4MBTD1
SCHEMBL8550930 0.90 KMT2A (0.58) DRD4MBTD1L3MBTL3SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL8550476 0.89 KMT2A (0.57) DRD4MBTD1L3MBTL3SIGMAR1KMT2A
SCHEMBL8550697 0.87 SCN1A (0.55) SCN1ASCN2ASCN3ADRD4SIGMAR1
SCHEMBL8551671 0.87 SCN1A (0.55) SCN1ASCN2ASCN3ASIGMAR1KMT2A
SCHEMBL8551873 0.87 SCN1A (0.55) SCN1ASCN2ASCN3ADRD4KMT2A
SCHEMBL8553837 0.86 SCN1A (0.60) SCN1ASCN2ASCN3ADRD4KMT2A
SCHEMBL8550662 0.86 SCN1A (0.63) SCN1ASCN2ASCN3ADRD4KMT2A
Hydrochloric Acid SCHEMBL8551263 0.86 SCN1A (0.54) SCN1ASCN2ASCN3ADRD4SIGMAR1
Hydrochloric Acid SCHEMBL8551715 0.86 KMT2A (0.57) SCN1ASCN2ASCN3ASIGMAR1KMT2A

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 5 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 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