SCHEMBL9856731

SCHEMBL9856731

CNCCC(Cc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.55
HTR2A P28223 4/20 0.51
HRH1 P35367 4/20 0.51
POLB P06746 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
SLC6A2 P23975 6/20 0.43
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP1A2 P05177 4/20 0.42
TSHR P16473 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KMT2A Q03164 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2C P28335 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL8384207 0.89 HTR2A (0.60) SLC6A4HTR2AHRH1TAAR1SLC6A2
SCHEMBL9856595 0.86 HTR2A (0.50) SLC6A4HTR2AHRH1TAAR1SLC6A2
SCHEMBL9857112 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1TAAR1SLC6A2
SCHEMBL9856505 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL9857294 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL9856936 0.84 SLC6A4 (0.55) SLC6A4HTR2AHRH1TAAR1SLC6A2
SCHEMBL1898094 0.84 SLC6A4 (0.55) SLC6A4POLBTAAR1SLC6A2CYP3A4
SCHEMBL9856532 0.84 SLC6A4 (0.58) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL9856737 0.84 SLC6A4 (0.54) SLC6A4HTR2AHRH1POLBTAAR1
SCHEMBL9856456 0.83 HTR2A (0.50) SLC6A4HTR2AHRH1TAAR1SLC6A2

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