SCHEMBL249813

SCHEMBL249813

CS(=O)(=O)NCCCCc1cn(C2CCc3cc4ccccc4n3C2)nn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOST Q9BQB4 1/20 0.36
HTT P42858 1/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
OPRL1 P41146 2/20 0.32
NQO2 P16083 1/20 0.32
POLB P06746 1/20 0.32
DDX3X O00571 1/20 0.31
HTR4 Q13639 2/20 0.31
OGFRL1 Q5TC84 2/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL186101 0.78 PTGDR2 (0.47)
SCHEMBL234225 0.62 HTR2A (0.43) HTR2AHTR2C
SCHEMBL13448722 0.58 HTR2A (0.42) HTR2AHTR2C
SCHEMBL233436 0.58 HTR2A (0.47) POLBHTR2AHTR2C
SCHEMBL231854 0.58 HTR2A (0.51) HTR2AHTR2C
SCHEMBL21027979 0.58 HTR2A (0.43) HTTHTR2AHTR2C
SCHEMBL476641 0.57 MEN1 (0.61) HTTPOLB
SCHEMBL20920608 0.57 MIF (0.49)
SCHEMBL8447696 0.57 HTR2A (0.43) HTR2AHTR2C
SCHEMBL13279281 0.57 HTR2A (0.40) OPRM1OPRK1HTR4OGFRL1HTR2A

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-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed