SCHEMBL6993272

SCHEMBL6993272

CC(=O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(-c4cccnc4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 8/20 0.42
PDE1C Q14123 3/20 0.41
HDAC8 Q9BY41 2/20 0.39
MMP12 P39900 2/20 0.39
PRCP P42785 1/20 0.37
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HCAR2 Q8TDS4 3/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL7000181 0.94 PDE9A (0.46) PDE9APDE1CKMT2A
SCHEMBL6994663 0.87 PDE9A (0.45) PDE9APDE1CKMT2ACCNE2CCNE1
SCHEMBL6995575 0.85 PDE9A (0.46) PDE9APDE1CKMT2A
SCHEMBL6993084 0.81 PDE9A (0.46) PDE9APDE1CKMT2A
SCHEMBL6992823 0.77 PDE9A (0.53) PDE9APDE1CKMT2A
SCHEMBL6994822 0.76 PDE9A (0.49) PDE9APDE1CKMT2A
SCHEMBL7442320 0.76 PDE2A (0.52) KMT2ACCNE2CCNE1CDK2
SCHEMBL6994147 0.75 PDE9A (0.46) PDE9APDE1CKMT2A
SCHEMBL6997618 0.74 PDE9A (0.49) PDE9APDE1CKMT2ACCNB2CCNE2
SCHEMBL6990625 0.73 PDE9A (0.45) PDE9APDE1CKMT2A

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-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed