SCHEMBL8552413

SCHEMBL8552413

O=C(OC1CCN(Cc2ccccc2F)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
SIGMAR1 Q99720 3/20 0.55
ATM Q13315 2/20 0.53
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
CYP2A13 Q16696 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 SCHEMBL8555669 0.99 KMT2A (0.58) CARM1PRMT6KMT2AMEN1SIGMAR1
SCHEMBL8553710 0.90 SCN1A (0.57) CARM1PRMT6KMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL8554793 0.89 SCN1A (0.56) CARM1PRMT6KMT2AMEN1SIGMAR1
SCHEMBL8552271 0.85 CARM1 (0.57) CARM1PRMT6KMT2AMEN1POLB
SCHEMBL8550475 0.85 ALDH1A1 (0.59) CARM1PRMT6KMT2AMEN1SIGMAR1
SCHEMBL8552939 0.85 POLB (0.62) CARM1PRMT6KMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL8554390 0.84 MEN1 (0.58) CARM1PRMT6KMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL8553843 0.84 KMT2A (0.58) CARM1PRMT6KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL8555214 0.84 POLB (0.61) CARM1PRMT6KMT2AMEN1SIGMAR1
SCHEMBL8552224 0.83 CARM1 (0.58) CARM1PRMT6KMT2AMEN1SIGMAR1

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