SCHEMBL9528078

SCHEMBL9528078

COc1cc(C(=O)NS(=O)(=O)c2ccccc2Cl)ccc1C(C)c1c[nH]c2ccc(CC3CCN(C)C3=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.41
CYSLTR1 Q9Y271 7/20 0.41
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
HTR6 P50406 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
PTGES O14684 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
SCHEMBL9527977 0.93 CYSLTR1 (0.41) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9528727 0.89 CYSLTR2 (0.42) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9528457 0.85 MEN1 (0.40) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9527270 0.84 MEN1 (0.40) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9526859 0.84 B3GAT3 (0.36)
SCHEMBL9531910 0.83 PLA2G4A (0.41) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9526764 0.83 NPC1 (0.37) GAA
SCHEMBL9526915 0.81 CYSLTR1 (0.40) CYSLTR2CYSLTR1HTR2APTGES
SCHEMBL9489489 0.80 TDP1 (0.43) MGAMGAASIMGAM2
SCHEMBL9488371 0.79 GAA (0.43) CYSLTR2CYSLTR1MGAMGAASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed