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SCHEMBL8774704

SCHEMBL8774704

CCCCCC1CCC(C(C)c2ccc(-c3cnc(F)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.33
▸ GRIN2B Q13224 5/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ ESR2 Q92731 1/20 0.31
▸ GPR55 Q9Y2T6 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
SCHEMBL8774654 0.99 GAA (0.33) PDE5AGRIN2BGRIN1GAAMAPT
SCHEMBL8774698 0.99 GAA (0.33) PDE5AGRIN2BGRIN1GAAMAPT
SCHEMBL8775100 0.97 ESR2 (0.33) PDE5AGRIN2BGRIN1GAAMAPT
SCHEMBL8774394 0.92 GRIN2B (0.33) GRIN2BGRIN1PTGS2GPR55
SCHEMBL8774169 0.87 GRIN2B (0.36) GRIN2BGRIN1PTGS2GPR55
SCHEMBL9157491 0.85 PTGS2 (0.35) GAAMAPTPTGS2
SCHEMBL9158940 0.84 GAA (0.35) GAAMAPTPTGS2
SCHEMBL9156816 0.84 GAA (0.35) GAAMAPTPTGS2
SCHEMBL8774197 0.83 SLC6A2 (0.34) GAAMAPTPTGS2
SCHEMBL8774717 0.83 RARB (0.40) PDE5AGRIN2BGRIN1GAAMAPT

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 — — EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 — — EP disclosed