SCHEMBL9857112

SCHEMBL9857112

CNCCC(Cc1ccc(CC(C)C)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.53
HRH1 P35367 4/20 0.53
SLC6A4 P31645 4/20 0.44
ADRA2B P18089 2/20 0.44
SLC6A2 P23975 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
OPRK1 P41145 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
SCN1A P35498 1/20 0.44

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
SCHEMBL8384207 0.90 HTR2A (0.60) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9857294 0.87 HTR2A (0.53) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856505 0.87 HTR2A (0.53) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856731 0.86 SLC6A4 (0.55) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856936 0.86 SLC6A4 (0.55) HTR2AHRH1SLC6A4SLC6A2SLC6A3
SCHEMBL9856456 0.84 HTR2A (0.50) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856467 0.84 SLC6A4 (0.52) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856914 0.83 HTR2A (0.49) HTR2AHRH1SLC6A4ADRA2BSLC6A2
SCHEMBL9856612 0.83 ALDH1A1 (0.61) HTR2AHRH1SLC6A4SLC6A2SLC6A3
SCHEMBL9856532 0.82 SLC6A4 (0.58) HTR2AHRH1SLC6A4ADRA2BSLC6A2

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