SCHEMBL2023139

SCHEMBL2023139

CCCS(=O)(=O)NC1Cc2c(n(Cc3cccc(F)n3)c3ccc(C#N)cc23)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 4/20 0.36
▸ HRH1 P35367 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ PARG Q86W56 2/20 0.34
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CXCR2 P25025 1/20 0.30
▸ HSD11B1 P28845 1/20 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
SCHEMBL12579057 1.00 SCARB1 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL12579062 0.94 HRH1 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL2023590 0.90 HTR6 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL12579051 0.90 HTR6 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL2026761 0.89 SCARB1 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL12579070 0.89 SCARB1 (0.36) SCARB1HRH1HTR6PARGFNTA
SCHEMBL2021312 0.88 SCARB1 (0.40) SCARB1HRH1HTR6PARGFNTA
SCHEMBL12579055 0.88 SCARB1 (0.40) SCARB1HRH1HTR6PARGFNTA
SCHEMBL2027138 0.88 SCARB1 (0.40) SCARB1HRH1HTR6PARGFNTA
SCHEMBL2025539 0.88 SCARB1 (0.40) SCARB1HRH1HTR6PARGFNTA

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
US-7968587-B2 Tetrahydrocyclopenta[b]indole compounds as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-06-28 — — US disclosed
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