SCHEMBL13563337

SCHEMBL13563337

COc1c(Cl)ccnc1Cn1c2c(c3cc(C#N)ccc31)CCC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 6/20 0.49
▸ HTR6 P50406 2/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ GAK O14976 2/20 0.34
▸ RIPK2 O43353 2/20 0.34
▸ COQ8A Q8NI60 2/20 0.34
▸ NLK Q9UBE8 2/20 0.34
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL13626290 0.85 HTR6 (0.54) SCARB1HTR6PTGS1PTGS2CA1
SCHEMBL1420956 0.80 SCARB1 (0.34) SCARB1HTR6HRH1PDE5A
SCHEMBL1178469 0.77 SCARB1 (0.33) SCARB1HTR6HRH1RORCPDE5A
SCHEMBL1178467 0.77 SCARB1 (0.33) SCARB1HTR6HRH1RORCPDE5A
SCHEMBL13563272 0.75 SCARB1 (0.48) SCARB1HTR6HRH1PTGS1PTGS2
SCHEMBL14218042 0.74 HRH1 (0.60) SCARB1HTR6HRH1RORCCA1
SCHEMBL541977 0.73 RORC (0.59) SCARB1HTR6HRH1RORCCA1
SCHEMBL13478810 0.72 HTR6 (0.60) SCARB1HTR6HRH1RORCCA1
SCHEMBL4194079 0.69 SCARB1 (0.67) SCARB1HTR6HRH1RORCCA1
SCHEMBL14217953 0.68 SCARB1 (0.49) SCARB1HTR6HRH1PTGS1PTGS2

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
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 — — EP disclosed
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