SCHEMBL14217953

SCHEMBL14217953

N#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 4/20 0.49
▸ HTR6 P50406 3/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ RORC P51449 1/20 0.39
▸ 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
SCHEMBL3144810 0.84 HTR6 (0.42) SCARB1HTR6HRH1
SCHEMBL14218046 0.84 HTR6 (0.47) HTR6HRH1CA1CA2PTGS1
SCHEMBL14218042 0.83 HRH1 (0.60) SCARB1HTR6HRH1CA1CA2
SCHEMBL14218040 0.82 HRH1 (0.40) SCARB1HTR6HRH1
SCHEMBL12579014 0.82 HRH1 (0.40) SCARB1HTR6HRH1
SCHEMBL2019197 0.82 HRH1 (0.40) SCARB1HTR6HRH1
SCHEMBL13478813 0.81 HTR6 (0.50) HTR6CA1CA2PTGS1PTGS2
SCHEMBL13478810 0.81 HTR6 (0.60) SCARB1HTR6HRH1CA1CA2
Cyclopropane SCHEMBL3158891 0.80 PTGDR2 (0.43) SCARB1HTR6HRH1
SCHEMBL12637190 0.78 PTGDR2 (0.41) SCARB1HTR6HRH1

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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