SCHEMBL4028387

SCHEMBL4028387

COC(=O)c1ccc2c(c1)c1c(n2CCCNc2cc(Cl)ncn2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 8/20 0.61
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.38
RORC P51449 2/20 0.38
HTR6 P50406 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL13746722 0.89 SCARB1 (0.65) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4022776 0.87 SCARB1 (0.62) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4023232 0.87 SCARB1 (0.69) SCARB1HSD17B10NPC1RORC
SCHEMBL13746602 0.84 SCARB1 (0.58) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4028758 0.82 SCARB1 (0.72) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4195549 0.81 SCARB1 (0.68) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4192256 0.80 SCARB1 (0.72) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4192941 0.80 SCARB1 (0.66) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4024472 0.79 SCARB1 (0.68) SCARB1HSD17B10NPC1PTGDR2RORC
SCHEMBL4030252 0.79 SCARB1 (0.70) 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 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