SCHEMBL6994147

SCHEMBL6994147

Cc1ccc(Cc2nc3c(cnn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 11/20 0.46
PDE1C Q14123 3/20 0.46
PDE2A O00408 4/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6994822 0.96 PDE9A (0.49) PDE9APDE1CPDE2AKMT2A
SCHEMBL6993084 0.94 PDE9A (0.46) PDE9APDE1CPDE2AKMT2A
SCHEMBL6997919 0.93 PDE9A (0.46) PDE9APDE1CPDE2AKMT2A
SCHEMBL6990625 0.93 PDE9A (0.45) PDE9APDE1CPDE2AKMT2A
SCHEMBL6991004 0.93 PDE9A (0.45) PDE9APDE1CPDE2AKMT2ALMNA
SCHEMBL6993902 0.91 PDE9A (0.48) PDE9APDE1CPDE2AKMT2ALMNA
SCHEMBL6998743 0.89 PDE2A (0.42) PDE9APDE1CPDE2A
SCHEMBL7000731 0.87 PDE2A (0.57) PDE9APDE1CPDE2A
SCHEMBL6992804 0.86 PDE9A (0.52) PDE9APDE1CPDE2A
SCHEMBL6997152 0.86 PDE9A (0.51) PDE9APDE1CPDE2AKMT2A

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