SCHEMBL6993902

SCHEMBL6993902

COc1ccc(Cc2nc3c(cnn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 13/20 0.48
PDE2A O00408 3/20 0.44
PDE1C Q14123 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6994822 0.93 PDE9A (0.49) PDE9APDE2APDE1CKMT2A
SCHEMBL6992804 0.92 PDE9A (0.52) PDE9APDE2APDE1C
SCHEMBL6994147 0.91 PDE9A (0.46) PDE9APDE2APDE1CLMNAKMT2A
SCHEMBL6993084 0.91 PDE9A (0.46) PDE9APDE2APDE1CKMT2A
SCHEMBL6991004 0.90 PDE9A (0.45) PDE9APDE2APDE1CLMNAKMT2A
SCHEMBL6990625 0.90 PDE9A (0.45) PDE9APDE2APDE1CKMT2A
SCHEMBL6997919 0.90 PDE9A (0.46) PDE9APDE2APDE1CKMT2A
SCHEMBL7000731 0.89 PDE2A (0.57) PDE9APDE2APDE1C
SCHEMBL6995575 0.86 PDE9A (0.46) PDE9APDE1CADORA3MEN1LMNA
SCHEMBL7892432 0.86 PDE9A (0.46) PDE9APDE2APDE1CADORA3MEN1

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