SCHEMBL9620706

SCHEMBL9620706

CCCC1CCC(CCc2ccc(C#N)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.42
▸ HTR2C P28335 8/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ KCNH2 Q12809 2/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ MAOB P27338 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35

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
SCHEMBL9620701 1.00 HTR2A (0.42) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620810 0.96 HTR2A (0.43) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9621121 0.92 HTR2A (0.41) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9621118 0.92 HTR2A (0.41) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620645 0.92 HTR2A (0.42) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620647 0.92 HTR2A (0.42) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL10611287 0.92 HTR2A (0.40) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620649 0.91 HTR2A (0.40) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620651 0.91 HTR2A (0.40) HTR2AHTR2CFFAR1FFAR4KCNH2
SCHEMBL9620509 0.90 HTR2A (0.40) HTR2AHTR2CFFAR1FFAR4KCNH2

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-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 — — EP disclosed
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