SCHEMBL8552939

SCHEMBL8552939

O=C(OC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CXCR4 P61073 4/20 0.53
ALDH1A1 P00352 2/20 0.53
ATM Q13315 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
FAAH O00519 1/20 0.49
BCHE P06276 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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 SCHEMBL8555214 0.99 POLB (0.61) POLBCARM1PRMT6MEN1KMT2A
SCHEMBL8551519 0.90 SCN1A (0.57) POLBCARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL8551979 0.89 SCN1A (0.56) POLBCARM1PRMT6MEN1KMT2A
SCHEMBL8550490 0.85 BCHE (0.65) CARM1PRMT6MEN1KMT2ABCHE
SCHEMBL8552413 0.85 CARM1 (0.57) POLBCARM1PRMT6MEN1KMT2A
SCHEMBL8550475 0.85 ALDH1A1 (0.59) POLBCARM1PRMT6MEN1KMT2A
SCHEMBL8552271 0.85 CARM1 (0.57) POLBCARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL8556315 0.84 MEN1 (0.65) CARM1PRMT6MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8553843 0.84 KMT2A (0.58) POLBCARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL8554390 0.84 MEN1 (0.58) POLBCARM1PRMT6MEN1KMT2A

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