SCHEMBL4024472

SCHEMBL4024472

COC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(C)cc(C(=O)OC)n2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 11/20 0.68
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RORC P51449 1/20 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
SCHEMBL4192941 0.87 SCARB1 (0.66) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4192256 0.87 SCARB1 (0.72) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4032600 0.84 SCARB1 (0.68) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4022776 0.82 SCARB1 (0.62) SCARB1HSD17B10NPC1PTGDR2KDM4E
SCHEMBL4195549 0.81 SCARB1 (0.68) SCARB1HSD17B10NPC1PTGDR2KDM4E
SCHEMBL4026174 0.81 SCARB1 (1.00) SCARB1HSD17B10
SCHEMBL13746722 0.80 SCARB1 (0.65) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL13746811 0.80 SCARB1 (0.57) SCARB1HSD17B10NPC1PTGDR2
SCHEMBL4023636 0.80 SCARB1 (0.72) SCARB1HSD17B10NPC1PTGDR2KDM4E
SCHEMBL13747268 0.80 SCARB1 (0.67) SCARB1HSD17B10NPC1PTGDR2RORC

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