SCHEMBL6994663

SCHEMBL6994663

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 11/20 0.45
PDE1C Q14123 4/20 0.45
PDE5A O76074 2/20 0.40
KMT2A Q03164 1/20 0.39
RNASEH1 O60930 2/20 0.36
PDE2A O00408 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 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 0.92 PDE9A (0.46) PDE9APDE1CKMT2ARNASEH1PDE2A
SCHEMBL6995575 0.90 PDE9A (0.46) PDE9APDE1CKMT2A
SCHEMBL6993272 0.87 PDE9A (0.42) PDE9APDE1CKMT2ACCNE2CCNE1
SCHEMBL6990625 0.86 PDE9A (0.45) PDE9APDE1CPDE5AKMT2APDE2A
SCHEMBL6992823 0.81 PDE9A (0.53) PDE9APDE1CKMT2APDE2A
SCHEMBL6994822 0.80 PDE9A (0.49) PDE9APDE1CKMT2APDE2A
SCHEMBL6994147 0.79 PDE9A (0.46) PDE9APDE1CKMT2APDE2A
SCHEMBL6997618 0.78 PDE9A (0.49) PDE9APDE1CKMT2APDE2ACCNE2
SCHEMBL6993084 0.78 PDE9A (0.46) PDE9APDE1CKMT2APDE2A
SCHEMBL6991004 0.77 PDE9A (0.45) PDE9APDE1CKMT2APDE2A

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