SCHEMBL2022246

SCHEMBL2022246

N#Cc1ccc2c(c1)c1c(n2Cc2ccccn2)CC(NS(=O)(=O)C2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ AR P10275 1/20 0.35
▸ PARG Q86W56 2/20 0.35
▸ SCARB1 Q8WTV0 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ SMO Q99835 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32

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
SCHEMBL2024849 1.00 HTR6 (0.45) HTR6HRH1ARPARGSCARB1
SCHEMBL12579072 1.00 HTR6 (0.45) HTR6HRH1ARPARGSCARB1
SCHEMBL2021412 0.87 HTR6 (0.47) HTR6HRH1ARPARGSCARB1
SCHEMBL12579067 0.87 HTR6 (0.47) HTR6HRH1ARPARGSCARB1
SCHEMBL2027983 0.87 HTR6 (0.47) HTR6HRH1ARPARGSCARB1
SCHEMBL14218083 0.87 PARG (0.36) HTR6HRH1PARGKCNH2MCHR1
SCHEMBL2024950 0.86 HRH1 (0.34) HTR6HRH1PARGSCARB1THRB
SCHEMBL2023272 0.86 HRH1 (0.34) HTR6HRH1PARGSCARB1THRB
SCHEMBL2027379 0.86 HRH1 (0.34) HTR6HRH1PARGSCARB1THRB
SCHEMBL12579060 0.86 HRH1 (0.34) HTR6HRH1PARGSCARB1THRB

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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