SCHEMBL6992804

SCHEMBL6992804

COc1cccc(Cc2nc3c(cnn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 12/20 0.52
PDE2A O00408 4/20 0.45
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
PDE1C Q14123 1/20 0.41
ALPL P05186 1/20 0.40
MMP13 P45452 1/20 0.40
BRS3 P32247 1/20 0.39

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
SCHEMBL6993902 0.92 PDE9A (0.48) PDE9APDE2APDE1C
SCHEMBL6994822 0.90 PDE9A (0.49) PDE9APDE2APDE1C
SCHEMBL7000731 0.89 PDE2A (0.57) PDE9APDE2APDE1C
SCHEMBL6994147 0.86 PDE9A (0.46) PDE9APDE2APDE1C
SCHEMBL6998743 0.86 PDE2A (0.42) PDE9APDE2ACCNB2CCNE2CDK1
SCHEMBL6993084 0.85 PDE9A (0.46) PDE9APDE2APDE1C
SCHEMBL6991004 0.85 PDE9A (0.45) PDE9APDE2APDE1C
SCHEMBL6990625 0.85 PDE9A (0.45) PDE9APDE2APDE1C
SCHEMBL6997919 0.85 PDE9A (0.46) PDE9APDE2ACCNB2CCNE2CDK1
SCHEMBL6997152 0.83 PDE9A (0.51) PDE9APDE2APDE1C

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