SCHEMBL21667303

SCHEMBL21667303

CC(C)n1c(=O)[nH]c(NCc2cccc(Cl)c2)c(F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 2/20 0.46
▸ PGR P06401 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL21667179 0.88 PGR (0.44) PGRLMNAMAPTGPR84TP53
SCHEMBL21667314 0.86 CDK1 (0.44) PDE9AMAPT
SCHEMBL21667181 0.84 PDE9A (0.48) PDE9AMAPT
SCHEMBL16321660 0.79 CYP3A4 (0.48) PGR
SCHEMBL16321659 0.79 CYP3A4 (0.48) PGR
SCHEMBL21667306 0.79 CYP3A4 (0.50) PDE9APGRFABP4LMNAMAPT
SCHEMBL22367979 0.76 SMN1; SMN2 (0.46) LMNAMAPTGPR84ADORA1TP53
SCHEMBL21667336 0.74 CDK1 (0.45) PDE9AMAPT
SCHEMBL21667316 0.71 CDK1 (0.44) PDE9ALMNAMAPT
SCHEMBL21667176 0.71 CYP3A4 (0.49) PGRLMNAMAPTGPR84TP53

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-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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