SCHEMBL8316880

SCHEMBL8316880

ClCCCN1CCC(=Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 3/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8316992 0.89 HRH3 (0.39) HRH3HTR1AHTR7DRD2HTR2A
SCHEMBL8314770 0.87 CHRM1 (0.40) HRH3HTR1AHTR7HRH1
SCHEMBL8312305 0.86 MC4R (0.39) HRH3CNR1
SCHEMBL8316497 0.86 MC4R (0.39) HRH3DRD2DRD3CNR1MEN1
SCHEMBL8316861 0.86 HRH3 (0.48) HRH3HTR1AHTR7
SCHEMBL8317603 0.84 HRH3 (0.40) HRH3SIGMAR1DRD3
SCHEMBL8315438 0.81 KCNH2 (0.43) HRH3SIGMAR1DRD2DRD3
SCHEMBL9053675 0.80 PARP1 (0.38) SIGMAR1HTR1AHTR7DRD2DRD3
Hydrochloric Acid SCHEMBL11034941 0.79 HRH1 (0.53) HTR1AHTR7DRD2HTR2AHTR2C
SCHEMBL11287903 0.79 HRH1 (0.42) HTR1AHTR7DRD2HTR2AHTR2C

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