SCHEMBL8065508

SCHEMBL8065508

O=CC1Cc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 11/20 0.42
TRPM4 Q8TD43 7/20 0.42
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38

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
SCHEMBL29673081 0.79 HTR2C (0.41) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL24542989 0.79 HTR2C (0.41) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL23088348 0.71 AADAT (0.50) TRPM5TRPM4HTR2AHTR2CHTR2B
SCHEMBL12719040 0.71 KDM1A (0.44) HTR2A
SCHEMBL1016046 0.71 PNMT (0.41) HTR2AHTR2CHTR2BSLC6A4
SCHEMBL23109818 0.70 HTR2C (0.40) TRPM5TRPM4HTR2AHTR2CHTR2B
SCHEMBL28078962 0.70 SRD5A1 (0.48) HTR2AHTR2CHTR2BSLC6A4SRD5A1
SCHEMBL28095849 0.70 SRD5A1 (0.48) HTR2AHTR2CHTR2BSLC6A4SRD5A1
SCHEMBL12114954 0.69 CHRNB2 (0.39) HTR2AHTR2CHTR2BCACNB4CACNA1A
SCHEMBL28939110 0.69 HCRTR2 (0.44) ADRA2A

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-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed