SCHEMBL6997472

SCHEMBL6997472

Cc1nn(C(CCCc2ccccc2)C(C)O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PDE2A O00408 3/20 0.40
PDE5A O76074 8/20 0.38
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL6987648 0.86 PDE2A (0.47) KDM4EPDE2A
SCHEMBL6996492 0.79 PDE2A (0.47) PDE2A
SCHEMBL4947310 0.78 PDE2A (0.62) PDE2A
SCHEMBL6998591 0.77 PDE2A (0.45) KDM4EPDE2A
SCHEMBL6991547 0.76 PDE2A (0.49) KDM4EPDE2AADORA3
SCHEMBL6997188 0.76 CCNE2 (0.52) KDM4EPDE2A
SCHEMBL6987730 0.74 GAA (0.43) KDM4EPDE2A
SCHEMBL6993084 0.73 PDE9A (0.46) PDE2A
SCHEMBL6997368 0.72 CCNE2 (0.51) PDE2A
SCHEMBL18283043 0.71 KMT2A (0.40) KDM4EPDE2APDE5AADORA3

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