SCHEMBL4030140

SCHEMBL4030140

COC(=O)c1ccc2c(c1)c1c(n2CCCN2CCNC(=O)C2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 5/20 0.59
▸ HSD17B10 Q99714 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ RORC P51449 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL4027183 0.81 SCARB1 (0.70) SCARB1HSD17B10ALDH1A1RORCPTGDR2
SCHEMBL4030252 0.81 SCARB1 (0.70) SCARB1HSD17B10NPC1ALDH1A1RORC
SCHEMBL13746624 0.81 SCARB1 (0.60) SCARB1HSD17B10NPC1RORCPTGDR2
SCHEMBL13747418 0.81 SCARB1 (0.53) SCARB1HSD17B10NPC1ALDH1A1RORC
SCHEMBL4030106 0.80 SCARB1 (0.61) SCARB1HSD17B10NPC1ALDH1A1RORC
SCHEMBL4189175 0.80 SCARB1 (0.69) SCARB1HSD17B10NPC1ALDH1A1RORC
SCHEMBL4024931 0.80 SCARB1 (0.69) SCARB1HSD17B10NPC1ALDH1A1HPGD
SCHEMBL4028758 0.80 SCARB1 (0.72) SCARB1HSD17B10NPC1RORCPTGDR2
SCHEMBL4031956 0.80 THRB (0.42) SCARB1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13747173 0.80 SCARB1 (0.58) SCARB1RORCHRH3

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
Send feedback