SCHEMBL9856698

SCHEMBL9856698

CNCCC(Cc1ccc(F)cc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
POLB P06746 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.37
NOS2 P35228 1/20 0.37
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL9856731 0.80 SLC6A4 (0.55) TAAR1POLBSLC6A4SLC6A2HTR2A
SCHEMBL9592071 0.74 TRPA1 (0.43) NOS2OPRM1OPRL1LMNAHTT
SCHEMBL9857250 0.71 NOS2 (0.38) SLC6A4SLC6A2NOS2HTR2ALMNA
SCHEMBL9856696 0.71 HTR2A (0.43) TAAR1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL9856936 0.71 SLC6A4 (0.55) TAAR1SLC6A4SLC6A2NOS2HTR2A
SCHEMBL5076835 0.71 TAAR1 (0.47) TAAR1SLC6A4NOS2HTR2AHRH1
SCHEMBL5071529 0.71 TAAR1 (0.47) TAAR1SLC6A4NOS2HTR2AHRH1
SCHEMBL9857145 0.70 SLC6A4 (0.48) SLC6A4SLC6A2NOS2HTR2AHRH1
Bromide SCHEMBL9857083 0.69 HTR2A (0.38) TAAR1SLC6A4SLC6A2HTR2AHRH1
SCHEMBL9856737 0.68 SLC6A4 (0.54) TAAR1POLBSLC6A4SLC6A2HTR2A

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 2 patents. 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
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed