SCHEMBL9856925

SCHEMBL9856925

CNCCC(Cc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HRH1 P35367 3/20 0.47
SLC6A4 P31645 9/20 0.45
SLC6A2 P23975 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
CYP2D6 P10635 4/20 0.45
NPC1 O15118 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL9857379 0.86 SLC6A4 (0.42) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9857102 0.80 SLC6A4 (0.49) SLC6A4SLC6A2MEN1KMT2ALMNA
SCHEMBL9856705 0.80 HTR2A (0.47) HTR2AHRH1SLC6A4SLC6A2LMNA
SCHEMBL14526719 0.79 HTR2A (0.53) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9857236 0.79 HTR2A (0.53) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL8263713 0.79 HTR2A (0.53) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9856873 0.79 SLC6A4 (0.50) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9856889 0.78 TAAR1 (0.53) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9856722 0.78 HTR2A (0.51) HTR2AHRH1SLC6A4SLC6A2MEN1
SCHEMBL9856532 0.77 SLC6A4 (0.58) HTR2AHRH1SLC6A4SLC6A2MEN1

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