SCHEMBL4024715

SCHEMBL4024715

COC(=O)c1ccc2c(c1)c1c(n2CCCOc2nc(C(C)(C)C)cc(C(F)(F)F)n2)CCCC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 19/20 0.73
HSD17B10 Q99714 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
SCHEMBL4026174 0.84 SCARB1 (1.00) SCARB1HSD17B10
SCHEMBL4193427 0.84 SCARB1 (0.81) SCARB1HSD17B10
SCHEMBL4033003 0.83 SCARB1 (0.80) SCARB1HSD17B10
SCHEMBL4028758 0.78 SCARB1 (0.72) SCARB1HSD17B10
SCHEMBL4030252 0.77 SCARB1 (0.70) SCARB1HSD17B10
SCHEMBL4024931 0.76 SCARB1 (0.69) SCARB1HSD17B10
SCHEMBL4189175 0.76 SCARB1 (0.69) SCARB1HSD17B10
SCHEMBL13746689 0.76 SCARB1 (0.72) SCARB1HSD17B10
SCHEMBL4023232 0.76 SCARB1 (0.69) SCARB1HSD17B10
SCHEMBL4029504 0.76 SCARB1 (0.68) SCARB1HSD17B10

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