SCHEMBL22626291

SCHEMBL22626291

C/C=C\C(=C/C)n1nc(C(=O)N(C)C(C)(C)C)c2c1-c1cc(C=C(C)C)c(OC)cc1CC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL22626670 0.74 NR1H4 (0.32) —
SCHEMBL12046678 0.70 PDE10A (0.45) PDE7APDE3APDE10A
SCHEMBL22626435 0.69 — —
SCHEMBL1198440 0.69 PDE7A (0.44) PDE7APDE3APDE10A
SCHEMBL1200530 0.69 PDE7A (0.40) PDE7APDE3APDE10A
SCHEMBL27119529 0.69 PDE7A (0.40) PDE7APDE3APDE10A
SCHEMBL30759622 0.69 PDE7A (0.40) PDE7APDE3APDE10A
SCHEMBL30759620 0.69 PDE7A (0.40) PDE7APDE3APDE10A
SCHEMBL22626454 0.67 PDE7A (0.37) PDE7APDE3APDE10A
SCHEMBL16377688 0.67 PDE7A (0.30) PDE7APDE3APDE10A

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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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