SCHEMBL4023636

SCHEMBL4023636

COc1cc(OC)nc(NCCCn2c3c(c4cc(C(=O)O)ccc42)CCCC3)n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 7/20 0.72
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HSD17B10 Q99714 2/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
NPC1 O15118 2/20 0.42
FABP4 P15090 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RORC P51449 1/20 0.40
HTR6 P50406 1/20 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
SCHEMBL4192256 0.93 SCARB1 (0.72) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL4027663 0.92 SCARB1 (0.71) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL4197771 0.91 SCARB1 (0.70) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL13746563 0.90 SCARB1 (0.69) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL4032600 0.90 SCARB1 (0.68) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL4031974 0.90 SCARB1 (0.68) SCARB1MTNR1AMTNR1BHSD17B10
SCHEMBL13747268 0.89 SCARB1 (0.67) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL4026670 0.88 SCARB1 (0.66) SCARB1MTNR1AMTNR1BHSD17B10PTGDR2
SCHEMBL13747257 0.86 SCARB1 (0.63) SCARB1MTNR1AMTNR1BHSD17B10
SCHEMBL4024370 0.85 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