SCHEMBL9856681

SCHEMBL9856681

CCc1ccc(CC(CCN(C)C)c2ccccc2)c(CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HRH1 P35367 3/20 0.45
SLC6A9 P48067 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
UBE2N P61088 1/20 0.37
CHRM2 P08172 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
CHRM1 P11229 2/20 0.36
UTS2R Q9UKP6 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9856891 0.86 HTR2A (0.53) HTR2AHRH1SLC6A9LMNAALDH1A1
SCHEMBL9857027 0.82 HTR2A (0.49) HTR2AHRH1SLC6A9LMNAALDH1A1
SCHEMBL9856945 0.79 HTR2A (0.49) HTR2AHRH1SLC6A9ALDH1A1UBE2N
SCHEMBL9857006 0.77 HTR2A (0.50) HTR2AHRH1LMNACHRM2SLC6A2
Bicarbonate SCHEMBL9857226 0.76 LMNA (0.45) HTR2AHRH1SLC6A9LMNAALDH1A1
Bicarbonate SCHEMBL9857218 0.76 LMNA (0.45) HTR2AHRH1SLC6A9LMNAALDH1A1
SCHEMBL9856558 0.76 HRH1 (0.45) HTR2AHRH1SLC6A9L3MBTL1MBTD1
SCHEMBL9856740 0.75 HTR2A (0.47) HTR2AHRH1LMNACHRM2SLC6A2
SCHEMBL9856649 0.74 HTR2A (0.41) HTR2AHRH1SLC6A9LMNAALDH1A1
SCHEMBL9857080 0.74 HTR2A (0.50) HTR2AHRH1SLC6A9UBE2NCHRM2

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
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed