SCHEMBL14218040

SCHEMBL14218040

CC1Cc2c(n(Cc3cccc(F)n3)c3ccc(C#N)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ SCARB1 Q8WTV0 4/20 0.37
▸ PARG Q86W56 2/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ CACNA2D1 P54289 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ DPP4 P27487 2/20 0.30

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
SCHEMBL12579014 0.88 HRH1 (0.40) HRH1HTR6SCARB1PARGPIK3R1
SCHEMBL2019197 0.88 HRH1 (0.40) HRH1HTR6SCARB1PARGPIK3R1
SCHEMBL14218045 0.85 SIGMAR1 (0.35) HRH1HTR6PARGBCHEACHE
SCHEMBL19015842 0.84 HRH1 (0.55) HRH1HTR6SCARB1PTGER4
SCHEMBL12579051 0.84 HTR6 (0.36) HRH1HTR6SCARB1PARGPIK3R1
SCHEMBL2023590 0.84 HTR6 (0.36) HRH1HTR6SCARB1PARGPIK3R1
SCHEMBL3144810 0.83 HTR6 (0.42) HRH1HTR6SCARB1PTGDR2DPP4
SCHEMBL12579062 0.83 HRH1 (0.36) HRH1HTR6SCARB1PARGPIK3R1
SCHEMBL14217953 0.82 SCARB1 (0.49) HRH1HTR6SCARB1
SCHEMBL12579010 0.82 HRH1 (0.37) HRH1HTR6SCARB1PARGPIK3R1

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-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 — — WO disclosed
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