SCHEMBL7569555

SCHEMBL7569555

CCOC(=O)N1CCC(c2ccccc2OC(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS2 P35228 1/20 0.46
TSHR P16473 2/20 0.46
CHRM4 P08173 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL4705782 0.86 MEN1 (0.66) BRD4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6922546 0.84 GPR119 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL4705226 0.80 GAA (0.58) BRD4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12897091 0.80 CHRM4 (0.65) MEN1KMT2AL3MBTL1CHRM4
SCHEMBL8135156 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1GAACHRM4
SCHEMBL14198379 0.76 TSHR (0.63) BRD4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17755141 0.76 ADRA2A (0.55) MEN1KMT2AGPBAR1
SCHEMBL17620432 0.74 SMN1; SMN2 (0.50) MEN1KMT2AGPBAR1NPSR1
SCHEMBL12897298 0.74 CHRM4 (0.58) BRD4MEN1KMT2AL3MBTL1CHRM4
SCHEMBL7570603 0.74 L3MBTL1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1GAA

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
EP-0736009-B1 N-OXIDES OF 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES AS ANTIPSYCHOTIC DRUGS ORTHO PHARMA CORP (US) 2002-09-11 EP disclosed
EP-0736009-A1 N-OXIDES OF 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES AS ANTIPSYCHOTIC DRUGS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-10-09 EP disclosed
WO-1995017385-A1 N-OXIDES OF 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES AS ANTIPSYCHOTIC DRUGS ORTHO PHARMACEUTICAL CORPORATION (US) 1995-06-29 WO disclosed
EP-0562049-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-09-29 EP disclosed
WO-1993004684-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-03-18 WO disclosed