SCHEMBL4192941

SCHEMBL4192941

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 11/20 0.66
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR2 P34972 1/20 0.40
RORC P51449 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL4192256 0.91 SCARB1 (0.72) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL4032600 0.88 SCARB1 (0.68) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL4024472 0.87 SCARB1 (0.68) SCARB1NPC1HSD17B10PTGDR2RORC
SCHEMBL4027663 0.85 SCARB1 (0.71) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL4023636 0.84 SCARB1 (0.72) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL13747268 0.84 SCARB1 (0.67) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL4195549 0.83 SCARB1 (0.68) SCARB1NPC1HSD17B10PTGDR2RORC
SCHEMBL4026670 0.83 SCARB1 (0.66) SCARB1NPC1HSD17B10PTGDR2MTNR1A
SCHEMBL13746722 0.83 SCARB1 (0.65) SCARB1NPC1HSD17B10PTGDR2RORC
SCHEMBL4197771 0.82 SCARB1 (0.70) SCARB1NPC1HSD17B10PTGDR2MTNR1A

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