SCHEMBL4201950

SCHEMBL4201950

Fc1ccc(OCCCn2c3c(c4cc(Br)ccc42)CCCC3)cc1F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 17/20 0.66
CYP3A4 P08684 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL13746749 0.87 SCARB1 (0.63) SCARB1CYP3A4PTGDR2
SCHEMBL4195483 0.85 SCARB1 (0.64) SCARB1CYP3A4PTGDR2
SCHEMBL13746614 0.83 SCARB1 (0.59) SCARB1CYP3A4PTGDR2
SCHEMBL4202035 0.83 SCARB1 (0.66) SCARB1CYP3A4PTGDR2
SCHEMBL4211410 0.83 SCARB1 (0.55) SCARB1
SCHEMBL13747451 0.81 SCARB1 (0.56) SCARB1PTGDR2
SCHEMBL4193417 0.79 SCARB1 (0.46) SCARB1
SCHEMBL4026317 0.79 SCARB1 (0.46) SCARB1
SCHEMBL4200388 0.77 SCARB1 (0.73) SCARB1
SCHEMBL4205587 0.75 SCARB1 (0.73) 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 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