SCHEMBL9856686

SCHEMBL9856686

CCc1ccc(C(CCN(C)C)Cc2ccccc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CFD P00746 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
UBE2N P61088 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9856945 0.78 HTR2A (0.49) HTR2AHRH1SIGMAR1SLC6A2SLC6A4
SCHEMBL9857027 0.75 HTR2A (0.49) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL9856674 0.73 TAAR1 (0.49) HTR2AHRH1SIGMAR1TAAR1CFD
SCHEMBL9857050 0.71 TAAR1 (0.42) HTR2AHRH1SIGMAR1TAAR1UBE2N
SCHEMBL9856649 0.71 HTR2A (0.41) HTR2AHRH1SIGMAR1SLC6A2SLC6A4
SCHEMBL9856602 0.71 CYP2D6 (0.45) HTR2AHRH1SIGMAR1TAAR1MEN1
SCHEMBL9856681 0.69 HTR2A (0.45) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL9856457 0.69 HTR2A (0.51) HTR2AHRH1SIGMAR1SLC6A2SLC6A4
SCHEMBL9857014 0.69 TAAR1 (0.54) HTR2AHRH1SLC6A2SLC6A4TAAR1
SCHEMBL9856815 0.68 SLC6A9 (0.54) HTR2ASIGMAR1SLC6A4MAPTUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed