SCHEMBL8551850

SCHEMBL8551850

O=C(OC1CCN(Cc2cccc(F)c2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
KMT2A Q03164 3/20 0.58
CCR3 P51677 4/20 0.56
MEN1 O00255 2/20 0.54
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
OPRK1 P41145 1/20 0.53
MCHR1 Q99705 1/20 0.53
BCHE P06276 2/20 0.53
FAAH O00519 1/20 0.52

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 SCHEMBL8550732 0.99 KMT2A (0.60) SIGMAR1KMT2ACCR3MEN1CARM1
SCHEMBL8554249 0.93 KMT2A (0.65) SIGMAR1KMT2ACCR3MEN1OPRK1
Hydrochloric Acid SCHEMBL8551392 0.92 KMT2A (0.67) SIGMAR1KMT2ACCR3MEN1OPRK1
SCHEMBL8551671 0.90 SCN1A (0.55) SIGMAR1KMT2ACCR3
Hydrochloric Acid SCHEMBL8551715 0.89 KMT2A (0.57) SIGMAR1KMT2ACCR3
SCHEMBL8552224 0.88 CARM1 (0.58) SIGMAR1KMT2ACCR3MEN1CARM1
SCHEMBL8552599 0.88 SIGMAR1 (0.64) SIGMAR1MCHR1BCHE
SCHEMBL8550490 0.87 BCHE (0.65) KMT2AMEN1CARM1PRMT6OPRK1
Hydrochloric Acid SCHEMBL8551179 0.86 MEN1 (0.59) SIGMAR1KMT2ACCR3MEN1CARM1
Hydrochloric Acid SCHEMBL8553699 0.86 SIGMAR1 (0.62) SIGMAR1KMT2AMEN1MCHR1BCHE

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