SCHEMBL14218042

SCHEMBL14218042

N#Cc1ccc2c(c1)c1c(n2Cc2ccccn2)CCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.60
▸ HTR6 P50406 6/20 0.60
▸ SCARB1 Q8WTV0 4/20 0.51
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ RORC P51449 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ USP2 O75604 1/20 0.39

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
SCHEMBL13478810 0.98 HTR6 (0.60) HRH1HTR6SCARB1CA1CA2
SCHEMBL3150253 0.83 HTR6 (0.57) HRH1HTR6SCARB1
SCHEMBL14217957 0.83 HTR6 (0.52) HRH1HTR6CA1CA2CNR2
SCHEMBL14217953 0.83 SCARB1 (0.49) HRH1HTR6SCARB1CA1CA2
SCHEMBL2024144 0.82 HRH1 (0.55) HRH1HTR6SCARB1CNR2
SCHEMBL19015842 0.82 HRH1 (0.55) HRH1HTR6SCARB1CNR2
Hydrochloric Acid SCHEMBL2025854 0.81 HTR6 (0.54) HRH1HTR6SCARB1CNR2
Hydrochloric Acid SCHEMBL2024394 0.81 HTR6 (0.54) HRH1HTR6SCARB1CNR2
Hydrochloric Acid SCHEMBL17592674 0.81 HTR6 (0.54) HRH1HTR6SCARB1CNR2
SCHEMBL13478801 0.81 HTR6 (0.55) HRH1HTR6CA1CA2CNR2

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
Send feedback