SCHEMBL4029504

SCHEMBL4029504

COC(=O)c1ccc2c(c1)c1c(n2CCCCN)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 7/20 0.68
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RORC P51449 2/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTR6 P50406 2/20 0.43

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
SCHEMBL4024931 0.97 SCARB1 (0.69) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4030252 0.89 SCARB1 (0.70) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4028758 0.88 SCARB1 (0.72) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4189175 0.88 SCARB1 (0.69) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4195549 0.87 SCARB1 (0.68) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4028396 0.85 SCARB1 (0.66) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL6756508 0.84 SCARB1 (0.63) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL4028710 0.84 SCARB1 (0.61) SCARB1HSD17B10NPC1RORCPTGDR2
SCHEMBL4199326 0.83 SCARB1 (0.63) SCARB1HSD17B10NPC1HDAC1HDAC6
SCHEMBL13746723 0.83 SCARB1 (0.64) SCARB1HSD17B10NPC1HDAC1HDAC6

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