SCHEMBL4028735

SCHEMBL4028735

COCCNC(=O)c1ccc2c(c1)c1c(n2CCCOc2nc(C)cc(C)n2)CCCC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 15/20 0.79
RORC P51449 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4026174 0.88 SCARB1 (1.00) SCARB1HSD17B10
SCHEMBL4029779 0.86 SCARB1 (0.82) SCARB1HSD17B10
SCHEMBL13746702 0.86 SCARB1 (0.81) SCARB1HSD17B10NPC1
SCHEMBL13746499 0.83 SCARB1 (0.77) SCARB1
SCHEMBL4193427 0.79 SCARB1 (0.81) SCARB1HSD17B10
SCHEMBL4205318 0.79 SCARB1 (0.73) SCARB1
SCHEMBL4200388 0.79 SCARB1 (0.73) SCARB1
SCHEMBL13746552 0.78 SCARB1 (0.71) SCARB1
SCHEMBL4727932 0.78 SCARB1 (0.54) SCARB1RORCTP53NPC1RAB9A
SCHEMBL4033003 0.78 SCARB1 (0.80) SCARB1HSD17B10NPC1

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