SCHEMBL8554249

SCHEMBL8554249

O=C(OC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.60
BCHE P06276 2/20 0.58
SIGMAR1 Q99720 4/20 0.57
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
OPRK1 P41145 1/20 0.56
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
CCR3 P51677 1/20 0.53
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MCHR1 Q99705 1/20 0.53
GAA P10253 1/20 0.53

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 SCHEMBL8551392 0.99 KMT2A (0.67) KMT2AMEN1BCHESIGMAR1CYP2D6
SCHEMBL8551850 0.93 SIGMAR1 (0.60) KMT2AMEN1BCHESIGMAR1OPRK1
Hydrochloric Acid SCHEMBL8550732 0.92 KMT2A (0.60) KMT2AMEN1BCHESIGMAR1OPRK1
SCHEMBL8552599 0.88 SIGMAR1 (0.64) BCHESIGMAR1SLC6A12TMEM97MCHR1
SCHEMBL8552224 0.88 CARM1 (0.58) KMT2AMEN1BCHESIGMAR1CCR3
SCHEMBL8550490 0.87 BCHE (0.65) KMT2AMEN1BCHEOPRK1
SCHEMBL8551006 0.87 BCHE (0.59) KMT2AMEN1BCHESIGMAR1OPRK1
Hydrochloric Acid SCHEMBL8551179 0.86 MEN1 (0.59) KMT2AMEN1BCHESIGMAR1CCR3
Hydrochloric Acid SCHEMBL8553699 0.86 SIGMAR1 (0.62) KMT2AMEN1BCHESIGMAR1SLC6A12
Hydrochloric Acid SCHEMBL8556315 0.86 MEN1 (0.65) KMT2AMEN1BCHEOPRK1

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 10 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 claimed
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP claimed
CN-1183768-A Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 1998-06-03 CN claimed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US claimed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO claimed
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