SCHEMBL13626291

SCHEMBL13626291

COc1c(F)cccc1Cn1c2c(c3cc(N)ccc31)C[C@H](NC(=O)OC(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ YWHAH Q04917 1/20 0.30
▸ ADAM17 P78536 1/20 0.30
▸ PLA2G2A P14555 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
SCHEMBL1178262 0.88 GPR6 (0.35) PPARGPTGDR2
SCHEMBL1178260 0.88 GPR6 (0.35) PPARGPTGDR2
SCHEMBL13563275 0.83 PTGDR2 (0.37) PTGDR2
SCHEMBL1179379 0.79 EGLN2 (0.34) PTGDR2DRD2
SCHEMBL1179381 0.79 EGLN2 (0.34) PTGDR2DRD2
SCHEMBL14218047 0.79 PTGDR2 (0.32) PTGDR2
SCHEMBL12640978 0.78 RET (0.32) PTGDR2HTR6DRD2
SCHEMBL1420698 0.77 GPR6 (0.37) PPARGPTGDR2ADAM17
SCHEMBL13626057 0.77 CYP2C19 (0.32) PTGDR2DRD2
SCHEMBL12640885 0.76 PTGDR2 (0.30) PTGDR2DRD2

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-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 — — WO disclosed
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