SCHEMBL4199573

SCHEMBL4199573

COC(=O)c1ccc2c(c1)c1c(n2CCCN2C(=O)c3ccccc3C2=O)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CHRM5 P08912 1/20 0.41

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
SCHEMBL4030252 0.84 SCARB1 (0.70) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL13747090 0.83 SCARB1 (0.60) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4028758 0.83 SCARB1 (0.72) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4024931 0.83 SCARB1 (0.69) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4189175 0.83 SCARB1 (0.69) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4029504 0.82 SCARB1 (0.68) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4195549 0.82 SCARB1 (0.68) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4028396 0.80 SCARB1 (0.66) SCARB1HSD17B10HDAC1HDAC6NPC1
SCHEMBL4728860 0.80 SCARB1 (0.61) SCARB1PTGDR2RXFP1RORC
SCHEMBL4728754 0.79 SCARB1 (0.60) SCARB1HSD17B10HDAC1HDAC6PTGDR2

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
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