SCHEMBL4028636

SCHEMBL4028636

N#Cc1ccc2c(c1)c1c(n2CCCS(=O)(=O)N2CCOCC2)CCCC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 11/20 0.67
▸ RORC P51449 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PTGDR2 Q9Y5Y4 4/20 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
SCHEMBL13746615 0.80 SCARB1 (1.00) SCARB1RORCHRH1HTR6PTGS1
SCHEMBL4024404 0.80 SCARB1 (0.58) SCARB1RORCL3MBTL1PTGDR2
SCHEMBL4194079 0.77 SCARB1 (0.67) SCARB1RORCHRH1HTR6
SCHEMBL13747174 0.74 SCARB1 (0.63) SCARB1RORCL3MBTL1HRH1HTR6
SCHEMBL13747535 0.74 SCARB1 (0.63) SCARB1RORCL3MBTL1HRH1HTR6
SCHEMBL13747173 0.73 SCARB1 (0.58) SCARB1RORCHRH1HTR6
SCHEMBL4025480 0.71 SCARB1 (0.61) SCARB1RORCPTGDR2
SCHEMBL13747782 0.70 SCARB1 (0.66) SCARB1HRH1HTR6
SCHEMBL4195391 0.70 SCARB1 (0.72) SCARB1RORCHRH1HTR6
SCHEMBL541977 0.69 RORC (0.59) SCARB1RORCHRH1HTR6

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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