SCHEMBL8314770

SCHEMBL8314770

ClCCCN1CCC(=Cc2ccccc2-c2cccc(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR7 P34969 3/20 0.40
HRH3 Q9Y5N1 6/20 0.39
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8316880 0.87 HRH3 (0.39) HTR7HRH3HTR1AHRH1
SCHEMBL8312632 0.84 ABCB1 (0.47) CHRM3HTR7HRH3KCNH2HTR1A
SCHEMBL8317603 0.84 HRH3 (0.40) HRH3OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL8316992 0.81 HRH3 (0.39) HTR7HRH3KCNH2HTR1AHRH1
SCHEMBL8315438 0.80 KCNH2 (0.43) HRH3KCNH2
SCHEMBL8312305 0.78 MC4R (0.39) CHRM3HRH3KCNH2
SCHEMBL8316861 0.78 HRH3 (0.48) HTR7HRH3KCNH2HTR1A
SCHEMBL8316497 0.78 MC4R (0.39) HRH3KCNH2OPRM1OPRK1SLC6A2
SCHEMBL8313295 0.75 CHRM1 (0.55) CHRM1CHRM3HTR7
SCHEMBL9053675 0.68 PARP1 (0.38) HTR7HTR1A

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed