SCHEMBL6998743

SCHEMBL6998743

CC(O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(Cl)c(Cl)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
PDE9A O76083 12/20 0.42
RNASEH1 O60930 1/20 0.41
PDE1C Q14123 4/20 0.41
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
CCNB2 O95067 1/20 0.37

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
SCHEMBL6997919 0.91 PDE9A (0.46) PDE2APDE9APDE1CTUBB4ATUBB
SCHEMBL6994822 0.90 PDE9A (0.49) PDE2APDE9APDE1C
SCHEMBL6994147 0.89 PDE9A (0.46) PDE2APDE9APDE1C
SCHEMBL6993084 0.88 PDE9A (0.46) PDE2APDE9APDE1C
SCHEMBL6991004 0.87 PDE9A (0.45) PDE2APDE9APDE1C
SCHEMBL6990625 0.87 PDE9A (0.45) PDE2APDE9APDE1C
SCHEMBL7000731 0.87 PDE2A (0.57) PDE2APDE9APDE1C
SCHEMBL6992804 0.86 PDE9A (0.52) PDE2APDE9APDE1CCCNB2CCNE2
SCHEMBL6993902 0.86 PDE9A (0.48) PDE2APDE9APDE1C
SCHEMBL6997152 0.85 PDE9A (0.51) PDE2APDE9APDE1C

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