SCHEMBL4032075

SCHEMBL4032075

Cc1cc(C)nc(OCCCn2c3c(c4cc(NS(C)(=O)=O)ccc42)CCCC3)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 15/20 0.75
PTGDR2 Q9Y5Y4 5/20 0.49

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
SCHEMBL13746696 0.86 SCARB1 (1.00) SCARB1
SCHEMBL4205318 0.81 SCARB1 (0.73) SCARB1
SCHEMBL4200388 0.81 SCARB1 (0.73) SCARB1
SCHEMBL13746552 0.81 SCARB1 (0.71) SCARB1
SCHEMBL4026174 0.80 SCARB1 (1.00) SCARB1
SCHEMBL4029779 0.80 SCARB1 (0.82) SCARB1
SCHEMBL13746702 0.79 SCARB1 (0.81) SCARB1
SCHEMBL4195163 0.79 SCARB1 (0.80) SCARB1
SCHEMBL4204690 0.79 SCARB1 (1.00) SCARB1
SCHEMBL13746499 0.77 SCARB1 (0.77) SCARB1

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