SCHEMBL20019783

SCHEMBL20019783

CBc1cc(CCC)cc(SC(F)(F)F)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.31

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
SCHEMBL20019918 0.71 PTGS2 (0.38)
SCHEMBL15787365 0.64 HTR2A (0.38) HTR2A
SCHEMBL15784847 0.62 HTR2A (0.37) HTR2A
SCHEMBL900866 0.62 PTGS2 (0.31)
SCHEMBL6116944 0.62 CNR1 (0.33)
SCHEMBL17015131 0.62 KCNN4 (0.41)
SCHEMBL20019823 0.61 HTR2A (0.36) HTR2A
SCHEMBL6116199 0.61 PDK2 (0.33)
SCHEMBL6118269 0.60 PDK2 (0.32)
SCHEMBL6116642 0.60 TLR8 (0.33)

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-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed