SCHEMBL14217935

SCHEMBL14217935

CC(C)COC(=O)N[C@@H]1Cc2c(n(Cc3cccc(F)n3)c3ccc(N)cc23)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PARG Q86W56 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 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
SCHEMBL14217936 1.00 DRD2 (0.33) DRD2PTGDR2HTR1AHTR2APARG
SCHEMBL14217938 0.91 ELANE (0.34) PTGDR2PARGBCHEACHE
SCHEMBL2025967 0.88 PTGDR2 (0.33) DRD2PTGDR2HTR1AHTR2APARG
SCHEMBL2025356 0.88 PTGDR2 (0.33) DRD2PTGDR2HTR1AHTR2APARG
SCHEMBL12579044 0.88 PTGDR2 (0.33) DRD2PTGDR2HTR1AHTR2APARG
SCHEMBL2026354 0.88 PTGDR2 (0.33) DRD2PTGDR2HTR1AHTR2APARG
SCHEMBL14217996 0.88 PTGDR2 (0.34) PTGDR2PARGBCHEACHE
SCHEMBL14218054 0.87 PLA2G2A (0.38) DRD2
SCHEMBL14218051 0.87 PLA2G2A (0.38) DRD2
SCHEMBL14624590 0.83 PTGDR2 (0.42) PTGDR2BCHEACHE

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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