SCHEMBL8550475

SCHEMBL8550475

O=C(OC1CCN(Cc2ccccc2Br)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 1/20 0.59
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.53
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
FAAH O00519 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
CYP2A13 Q16696 1/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 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 SCHEMBL8554390 0.99 MEN1 (0.58) ALDH1A1KDM4ELMNACARM1PRMT6
SCHEMBL8552845 0.90 SCN1A (0.57) ALDH1A1KDM4ELMNACARM1PRMT6
Hydrochloric Acid SCHEMBL8551109 0.89 SCN1A (0.56) ALDH1A1KDM4ELMNACARM1PRMT6
SCHEMBL8552939 0.85 POLB (0.62) ALDH1A1LMNACARM1PRMT6MEN1
SCHEMBL8552271 0.85 CARM1 (0.57) CARM1PRMT6MEN1KMT2ASCN1A
SCHEMBL8552413 0.85 CARM1 (0.57) ALDH1A1KDM4ELMNACARM1PRMT6
Hydrochloric Acid SCHEMBL8553843 0.84 KMT2A (0.58) CARM1PRMT6MEN1KMT2ASCN1A
Hydrochloric Acid SCHEMBL8555214 0.84 POLB (0.61) ALDH1A1LMNACARM1PRMT6MEN1
Hydrochloric Acid SCHEMBL8555669 0.84 KMT2A (0.58) ALDH1A1KDM4ELMNACARM1PRMT6
SCHEMBL8550490 0.82 BCHE (0.65) CARM1PRMT6MEN1KMT2ASCN1A

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