SCHEMBL9856936

SCHEMBL9856936

CNCCC(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.55
HTR2A P28223 2/20 0.51
HRH1 P35367 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NOS2 P35228 4/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2D6 P10635 3/20 0.42
KCNH2 Q12809 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9857294 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856505 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9857112 0.86 HTR2A (0.53) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856731 0.84 SLC6A4 (0.55) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9857145 0.83 SLC6A4 (0.48) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856456 0.83 HTR2A (0.50) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856914 0.82 HTR2A (0.49) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856612 0.82 ALDH1A1 (0.61) SLC6A4HTR2AHRH1MEN1KMT2A
SCHEMBL9856532 0.81 SLC6A4 (0.58) SLC6A4HTR2AHRH1MEN1KMT2A

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