Cyclohexane

Cyclohexane

SCHEMBL28323968

C1CCCCC1.CNCc1cc(OCc2ccccc2)n(CCF)n1

nearest known ligand 0.71

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.71
SLC6A4 P31645 20/20 0.71
HTR2A P28223 12/20 0.70

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
Cyclohexane SCHEMBL27907496 0.99 HTR2C (0.69) HTR2CSLC6A4HTR2A
SCHEMBL359798 0.85 HTR2C (0.86) HTR2CSLC6A4HTR2A
SCHEMBL360338 0.83 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL360787 0.83 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL360479 0.82 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL360793 0.82 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL10080824 0.82 HTR2C (1.00) HTR2CSLC6A4HTR2A
SCHEMBL14917160 0.82 HTR2C (0.72) HTR2CSLC6A4HTR2A
SCHEMBL14917009 0.82 HTR2C (0.72) HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL20816358 0.82 HTR2C (0.84) HTR2CSLC6A4HTR2A

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
CN-110430875-A Therapeutic agent for non-motor symptoms relevant to Parkinson's disease SUMITOMO DAINIPPON PHARMA CO LTD 2019-11-08 CN claimed