SCHEMBL7582978

SCHEMBL7582978

Cc1ccc(Cl)c(OC(CCCl)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.56
OPRM1 P35372 3/20 0.48
OPRL1 P41146 1/20 0.48
SLC6A4 P31645 9/20 0.45
CYP2D6 P10635 7/20 0.43
SLC6A2 P23975 7/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
KCNH2 Q12809 3/20 0.43
TSHR P16473 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CHRM1 P11229 2/20 0.43
ADRA2B P18089 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HRH1 P35367 2/20 0.43
DRD3 P35462 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR2B P41595 2/20 0.43
KLF10 Q13118 2/20 0.43

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
SCHEMBL7584672 0.87 SLC6A2 (0.50) NOS2OPRM1OPRL1SLC6A4CYP2D6
SCHEMBL6498779 0.85 NOS2 (0.71) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL9293360 0.82 SLC6A9 (0.53) NOS2OPRM1SLC6A4CYP2D6SLC6A2
SCHEMBL6007168 0.77 SLC6A4 (0.54) OPRM1SLC6A4CYP2D6SLC6A2CYP1A2
SCHEMBL7996118 0.77 SLC6A2 (0.68) NOS2OPRM1SLC6A4CYP2D6SLC6A2
SCHEMBL2208714 0.77 SLC6A2 (0.68) NOS2OPRM1SLC6A4CYP2D6SLC6A2
SCHEMBL2211203 0.77 SLC6A2 (0.68) NOS2OPRM1SLC6A4CYP2D6SLC6A2
SCHEMBL6579339 0.77 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6579534 0.77 NOS2 (0.68) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL6554718 0.77 SLC6A9 (0.50) NOS2SLC6A4HTR2AHRH1HRH3

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
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed