SCHEMBL4030106

SCHEMBL4030106

COC(=O)c1ccc2c(c1)c1c(n2CCCN2CC(C)OC(C)C2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 9/20 0.61
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.46
▸ RORC P51449 2/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.43
▸ NPC1 O15118 2/20 0.42

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 0.90 SCARB1 (0.70) SCARB1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL13746919 0.88 SCARB1 (0.57) SCARB1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL13747925 0.87 SCARB1 (0.52) SCARB1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL13746624 0.85 SCARB1 (0.60) SCARB1KMT2AKDM4EHSD17B10RORC
SCHEMBL13746786 0.85 SCARB1 (0.50) SCARB1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL4030252 0.84 SCARB1 (0.70) SCARB1ALDH1A1KDM4EHSD17B10RORC
SCHEMBL4028758 0.83 SCARB1 (0.72) SCARB1HSD17B10RORCPTGDR2NPC1
SCHEMBL4189175 0.83 SCARB1 (0.69) SCARB1ALDH1A1KDM4EHSD17B10RORC
SCHEMBL4024931 0.83 SCARB1 (0.69) SCARB1ALDH1A1KDM4EHSD17B10RORC
SCHEMBL4029504 0.82 SCARB1 (0.68) SCARB1ALDH1A1KDM4EHSD17B10RORC

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
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