SCHEMBL4197771

SCHEMBL4197771

CNC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(OC)cc(OC)n2)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 7/20 0.70
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RORC P51449 2/20 0.42
NPC1 O15118 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMYD2 Q9NRG4 1/20 0.39
ADAMTS4 O75173 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL4192256 0.91 SCARB1 (0.72) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL4023636 0.91 SCARB1 (0.72) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL4027663 0.90 SCARB1 (0.71) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL13746563 0.89 SCARB1 (0.69) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL4032600 0.89 SCARB1 (0.68) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL4026670 0.88 SCARB1 (0.66) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL4031974 0.88 SCARB1 (0.68) SCARB1MTNR1AMTNR1BHSD17B10
SCHEMBL13747268 0.87 SCARB1 (0.67) SCARB1MTNR1AMTNR1BHSD17B10RORC
SCHEMBL13747257 0.84 SCARB1 (0.63) SCARB1MTNR1AMTNR1BHSD17B10
SCHEMBL4024370 0.83 SCARB1 (0.75) SCARB1MTNR1AMTNR1BHSD17B10HTR6

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