SCHEMBL9856737

SCHEMBL9856737

CNCCC(Cc1cccc(F)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
SLC6A2 P23975 2/20 0.46
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL14528129 0.93 TAAR1 (0.55) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9856595 0.88 HTR2A (0.50) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL8384207 0.85 HTR2A (0.60) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9856887 0.84 HTR2A (0.49) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9857036 0.84 HTR2A (0.49) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9857077 0.84 HTR2A (0.49) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9856731 0.84 SLC6A4 (0.55) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9856768 0.83 TAAR1 (0.54) SLC6A4TAAR1HTR2AHRH1SLC6A2
SCHEMBL9857406 0.82 CYP2D6 (0.52) SLC6A4HTR2AHRH1SLC6A2CARM1
SCHEMBL9856913 0.82 HTR2A (0.46) SLC6A4TAAR1HTR2AHRH1SLC6A2

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