SCHEMBL13626290

SCHEMBL13626290

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.54
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ SCARB1 Q8WTV0 6/20 0.35

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
SCHEMBL13563337 0.85 SCARB1 (0.49) HTR6PTGS1PTGS2CA1CA2
SCHEMBL13563240 0.82 HTR6 (0.53) HTR6PTGS1PTGS2CA1CA2
SCHEMBL13563257 0.76 HTR6 (0.46) HTR6PTGS1PTGS2CA1CA2
SCHEMBL13563320 0.73 HTR6 (0.44) HTR6PTGS1PTGS2CA1CA2
SCHEMBL13563274 0.72 HTR6 (0.57) HTR6PTGS1PTGS2CA1CA2
SCHEMBL14217957 0.72 HTR6 (0.52) HTR6CA1CA2
SCHEMBL13478801 0.70 HTR6 (0.55) HTR6PTGS1PTGS2CA1CA2
SCHEMBL15899412 0.69 HTR6 (0.57) HTR6PTGS1PTGS2CA1CA2
SCHEMBL15899271 0.68 HTR6 (0.54) HTR6PTGS1PTGS2CA1CA2
SCHEMBL13626053 0.68 HTR6 (0.46) HTR6PTGS1PTGS2CA1CA2

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
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 — — WO disclosed
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