SCHEMBL1420698

SCHEMBL1420698

COc1c(F)cccc1Cn1c2c(c3cc(C#N)ccc31)CC(NC(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 6/20 0.37
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GUCY1A1 Q02108 1/20 0.35
▸ GUCY1B1 Q02153 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.34
▸ SCARB1 Q8WTV0 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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 0.90 GPR6 (0.35) GPR6GRIN1GRIN2BPTGDR2GUCY1A1
SCHEMBL1178260 0.90 GPR6 (0.35) GPR6GRIN1GRIN2BPTGDR2GUCY1A1
SCHEMBL1179381 0.80 EGLN2 (0.34) GPR6GRIN1GRIN2BPTGDR2GUCY1A1
SCHEMBL1179379 0.80 EGLN2 (0.34) GPR6GRIN1GRIN2BPTGDR2GUCY1A1
SCHEMBL1420956 0.79 SCARB1 (0.34) GPR6PTGDR2SCARB1ADAM17PDE5A
SCHEMBL13563272 0.79 SCARB1 (0.48) GPR6SCARB1
SCHEMBL13626291 0.77 PPARG (0.33) PTGDR2PPARGADAM17
SCHEMBL1178508 0.76 ADORA2A (0.39) GPR6PTGDR2ADORA2AADORA1CNR1
SCHEMBL1178506 0.76 ADORA2A (0.39) GPR6PTGDR2ADORA2AADORA1CNR1
SCHEMBL12579040 0.76 SCARB1 (0.36) PTGDR2GUCY1A1GUCY1B1KCNH2SCARB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297100-A1 TETRAHYDROCYCLOPENTAÝB¨INDOLE ANDROGEN RECEPTOR MODULATORS Eli Lilly & Company (US) 2011-03-23 — — EP disclosed
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 — — WO disclosed
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