SCHEMBL4031956

SCHEMBL4031956

COC(=O)c1ccc2c(c1Cl)c1c(n2CCCN2CCNC(=O)C2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.42
▸ SCARB1 Q8WTV0 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDGFRB P09619 3/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ FLT1 P17948 3/20 0.35
▸ FGFR3 P22607 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL4025431 0.82 SCARB1 (0.46) SCARB1HRH3
SCHEMBL4029927 0.82 SCARB1 (0.43) SCARB1SMN1; SMN2HRH3
SCHEMBL4204074 0.81 ALDH1A1 (0.45) SCARB1
SCHEMBL4030140 0.80 SCARB1 (0.59) SCARB1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4033009 0.79 SCARB1 (0.41) SCARB1HRH3
SCHEMBL4023327 0.78 HSD17B10 (0.41) SCARB1
SCHEMBL13746785 0.73 SCARB1 (0.38) SCARB1
SCHEMBL13747863 0.71 SCARB1 (0.46) SCARB1SMN1; SMN2HRH3
SCHEMBL13747173 0.69 SCARB1 (0.58) SCARB1HRH3
SCHEMBL29746275 0.64 PARP1 (0.41) SMN1; SMN2

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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