SCHEMBL13563272

SCHEMBL13563272

COc1c(F)cccc1Cn1c2c(c3cc(C#N)ccc31)CCC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 4/20 0.48
▸ HTR6 P50406 2/20 0.41
▸ RORC P51449 1/20 0.39
▸ FABP3 P05413 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ FABP4 P15090 2/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 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
SCHEMBL1420698 0.79 GPR6 (0.37) SCARB1GPR6
SCHEMBL1178260 0.76 GPR6 (0.35) SCARB1RORCGPR6
SCHEMBL1178262 0.76 GPR6 (0.35) SCARB1RORCGPR6
SCHEMBL14217953 0.76 SCARB1 (0.49) SCARB1HTR6RORCHRH1CA1
SCHEMBL13563337 0.75 SCARB1 (0.49) SCARB1HTR6RORCHRH1CA1
SCHEMBL541977 0.75 RORC (0.59) SCARB1HTR6RORCHRH1CA1
SCHEMBL14218042 0.71 HRH1 (0.60) SCARB1HTR6RORCHRH1CA1
SCHEMBL13563336 0.69 HTR6 (0.46) HTR6FABP3FABP4CA1CA2
SCHEMBL13478810 0.69 HTR6 (0.60) SCARB1HTR6RORCHRH1CA1
SCHEMBL13563274 0.68 HTR6 (0.57) HTR6FABP4CA1CA2HSD17B10

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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