SCHEMBL9856897

SCHEMBL9856897

CNCCC(Cc1ccccc1OC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.57
SLC6A4 P31645 8/20 0.57
CYP2D6 P10635 6/20 0.57
CYP3A4 P08684 5/20 0.57
SLC6A3 Q01959 5/20 0.57
KMT2A Q03164 4/20 0.57
CYP1A2 P05177 4/20 0.57
MEN1 O00255 3/20 0.57
TSHR P16473 3/20 0.57
CYP2C19 P33261 1/20 0.57
PMP22 Q01453 2/20 0.56
KCNH2 Q12809 4/20 0.53
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR2A P28223 4/20 0.49
HRH1 P35367 4/20 0.49
CHRM1 P11229 2/20 0.47
ADRA2B P18089 2/20 0.47
HTR2C P28335 2/20 0.47
OPRM1 P35372 2/20 0.47

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
SCHEMBL9857024 0.87 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9856174 0.86 L3MBTL1 (0.51) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL8263713 0.80 HTR2A (0.53) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL14526719 0.80 HTR2A (0.53) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9857236 0.80 HTR2A (0.53) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9856862 0.79 HTR2A (0.49) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9856745 0.79 SLC6A2 (0.43) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9856722 0.79 HTR2A (0.51) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9856889 0.79 TAAR1 (0.53) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3
SCHEMBL9802284 0.78 L3MBTL1 (0.51) SLC6A2SLC6A4CYP2D6CYP3A4SLC6A3

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