SCHEMBL7000181

SCHEMBL7000181

CC(=O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(-c4ccccc4)cc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 12/20 0.46
PDE1C Q14123 4/20 0.46
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
RNASEH1 O60930 2/20 0.37
PDE2A O00408 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6993272 0.94 PDE9A (0.42) PDE9APDE1CKMT2A
SCHEMBL6994663 0.92 PDE9A (0.45) PDE9APDE1CKMT2ARNASEH1PDE2A
SCHEMBL6995575 0.91 PDE9A (0.46) PDE9APDE1CKMT2ASMN1; SMN2
SCHEMBL6993084 0.86 PDE9A (0.46) PDE9APDE1CKMT2APDE2ARXFP1
SCHEMBL6992823 0.82 PDE9A (0.53) PDE9APDE1CKMT2APDE2A
SCHEMBL6994822 0.81 PDE9A (0.49) PDE9APDE1CKMT2APDE2A
SCHEMBL7442320 0.80 PDE2A (0.52) KMT2ARNASEH1PDE2ARXFP1
SCHEMBL6994147 0.79 PDE9A (0.46) PDE9APDE1CKMT2ASMN1; SMN2PDE2A
SCHEMBL6997618 0.79 PDE9A (0.49) PDE9APDE1CKMT2APDE2A
SCHEMBL6990625 0.78 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 4 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
EP-0973774-A1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998040384-A1 1,5-DIHYDRO-PYRAZOLO[3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed