SCHEMBL8552222

SCHEMBL8552222

Cc1ccc(C(=O)OC2CCN(Cc3ccc(N)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN3A Q9NY46 1/20 0.60
KDM4E B2RXH2 1/20 0.50
ADRB2 P07550 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 SCHEMBL8554256 0.99 SCN1A (0.59) SCN1ASCN2ASCN3AKDM4EADRB2
SCHEMBL8551183 0.94 SCN1A (0.68) SCN1ASCN2ASCN3AKDM4EADRB2
Hydrochloric Acid SCHEMBL8553929 0.92 SCN1A (0.66) SCN1ASCN2ASCN3AKDM4EADRB2
SCHEMBL8551160 0.89 SCN1A (0.61) SCN1ASCN2ASCN3AKDM4EADRB2
SCHEMBL8553670 0.89 SCN1A (0.61) SCN1ASCN2ASCN3AKDM4EADRB2
Hydrochloric Acid SCHEMBL8554961 0.88 SCN1A (0.60) SCN1ASCN2ASCN3AKDM4EADRB2
SCHEMBL8553837 0.88 SCN1A (0.60) SCN1ASCN2ASCN3AKDM4EADRB2
Hydrochloric Acid SCHEMBL27561716 0.88 SCN1A (0.60) SCN1ASCN2ASCN3AKDM4EMEN1
SCHEMBL8550662 0.88 SCN1A (0.63) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8551383 0.88 CARM1 (0.60) SCN1ASCN2ASCN3AMEN1KMT2A

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