SCHEMBL6997152

SCHEMBL6997152

CC(O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc4c(c3)OCO4)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 7/20 0.51
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 4/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
PDE1C Q14123 2/20 0.41
PDE2A O00408 3/20 0.40
PDE10A Q9Y233 1/20 0.40
TRPA1 O75762 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
SCHEMBL6999438 0.90 PDE9A (0.54) PDE9AALDH1A1MEN1KMT2AMAPK1
SCHEMBL6994822 0.88 PDE9A (0.49) PDE9AKMT2APDE1CPDE2A
SCHEMBL6994147 0.86 PDE9A (0.46) PDE9AKMT2APDE1CPDE2A
SCHEMBL7356637 0.86 PDE2A (0.40) PDE9AALDH1A1MEN1KMT2AMAPK1
SCHEMBL6998591 0.86 PDE2A (0.45) PDE9AALDH1A1MEN1KMT2AMAPK1
SCHEMBL6998743 0.85 PDE2A (0.42) PDE9APDE1CPDE2A
SCHEMBL6993084 0.85 PDE9A (0.46) PDE9AKMT2APDE1CPDE2A
SCHEMBL6990625 0.84 PDE9A (0.45) PDE9AKMT2APDE1CPDE2A
SCHEMBL6991004 0.84 PDE9A (0.45) PDE9AKMT2APDE1CPDE2A
SCHEMBL6997919 0.84 PDE9A (0.46) PDE9AKMT2APDE1CPDE2A

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