SCHEMBL13580701

SCHEMBL13580701

C=C(CCCc1ccc(OC)cc1)N(C)C1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
HTR2A P28223 4/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2C P28335 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CCR5 P51681 1/20 0.42

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
SCHEMBL3044722 0.86 ALOX5 (0.60) ALOX5HTR2AGAAALDH1A1HTR2C
SCHEMBL3034608 0.81 CCR5 (0.53) ALOX5HTR2AGAAALDH1A1HTR2C
SCHEMBL17285933 0.78 SIGMAR1 (0.57) HTR2AGAAALDH1A1HTR2CL3MBTL1
SCHEMBL3604727 0.74 C5AR1 (0.60) SIGMAR1CCR5C5AR1
SCHEMBL13580709 0.74 SIGMAR1 (0.47) L3MBTL1SIGMAR1HRH3
SCHEMBL3046877 0.71 CCR5 (0.54) ALDH1A1CHRM5CHRM1CHRM3CYP1A2
SCHEMBL3038919 0.71 LMNA (0.46) HTR2AHTR2CL3MBTL1CHRM5CHRM1
SCHEMBL15088420 0.70 MCHR1 (0.67) HTR2AGAAALDH1A1HTR2CL3MBTL1
SCHEMBL3038901 0.70 RAB9A (0.60) HTR2AGAAALDH1A1HTR2CL3MBTL1
SCHEMBL10261038 0.69 MAOB (0.66) SIGMAR1HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed