SCHEMBL6995575

SCHEMBL6995575

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 12/20 0.46
PDE1C Q14123 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
USP2 O75604 1/20 0.40

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 0.91 PDE9A (0.46) PDE9APDE1CKMT2ASMN1; SMN2
SCHEMBL6994663 0.90 PDE9A (0.45) PDE9APDE1CKMT2A
SCHEMBL6993902 0.86 PDE9A (0.48) PDE9APDE1CLMNAMEN1KMT2A
SCHEMBL7892432 0.86 PDE9A (0.46) PDE9APDE1CLMNAMEN1KMT2A
SCHEMBL6993272 0.85 PDE9A (0.42) PDE9APDE1CKMT2A
SCHEMBL6992823 0.80 PDE9A (0.53) PDE9APDE1CKMT2A
SCHEMBL6994822 0.78 PDE9A (0.49) PDE9APDE1CKMT2A
SCHEMBL6992804 0.78 PDE9A (0.52) PDE9APDE1C
SCHEMBL6994147 0.77 PDE9A (0.46) PDE9APDE1CLMNAKMT2ASMN1; SMN2
SCHEMBL6997618 0.77 PDE9A (0.49) PDE9APDE1CKMT2A

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