SCHEMBL4796596

SCHEMBL4796596

CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.46
PDE1B Q01064 3/20 0.46
PDE1C Q14123 3/20 0.46
PDE5A O76074 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
PDE2A O00408 2/20 0.42
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41

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
SCHEMBL9645631 0.89 ADORA2A (0.40) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL9646522 0.86 KDM4E (0.44) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL9645117 0.86 TSHR (0.45) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL4623653 0.85 PDE5A (0.43) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL538418 0.84 ADORA2A (0.54) BLMSIRT1SIRT3SIRT5ALDH1A1
SCHEMBL7007230 0.82 MEN1 (0.50) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL5646 0.82 PDE2A (0.61) PDE1APDE1BPDE1CPDE5AMEN1
SCHEMBL4623457 0.82 ADORA2A (0.59) BLMSIRT1SIRT3SIRT5HPGD
SCHEMBL3110928 0.81 PNP (0.48) PDE5AMEN1KMT2ATSHRKDM4E
SCHEMBL19583186 0.81 KDM4E (0.43) PDE1APDE1BPDE1CPDE5AMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008028250-A1 THERAPEUTIC AGENTS, TARGETS AND DIAGNOSTICS AUTOGEN RESEARCH PTY LTD (AU) 2008-03-13 WO disclosed
EP-1141020-A4 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2002-09-04 EP disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
EP-1141020-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2001-10-10 EP disclosed
WO-2000039279-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-06 WO disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
EP-0772448-A4 CYCLIC ANALOGS OF PTH AND PTHrP BETH ISRAEL HOSPITAL (US) 1999-05-26 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed
EP-0772448-A1 CYCLIC ANALOGS OF PTH AND PTHrP Beth Israel Deaconess Medical Center, Inc. (US) 1997-05-14 EP disclosed
WO-1996040193-A1 CYCLIC ANALOGS OF PTH AND PTHrP BETH ISRAEL HOSPITAL ASSOCIATION (US) 1996-12-19 WO disclosed
EP-0700438-A1 OPIOID RECEPTORS: COMPOSITIONS AND METHODS ARCH DEVELOPMENT CORPORATION (US) 1996-03-13 EP disclosed
EP-0668910-A1 HUMAN NEUROPEPTIDE Y-Y1 RECEPTOR GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 1995-08-30 EP disclosed
WO-1995001773-A9 STIMULATION OF TANNING BY DNA FRAGMENTS 1995-02-16 WO disclosed
WO-1994028132-A2 OPIOID RECEPTORS: COMPOSITIONS AND METHODS ARCH DEVELOPMENT CORPORATION (US) 1994-12-08 WO disclosed
EP-0668910-A4 HUMAN NEUROPEPTIDE Y-Y1 RECEPTOR. GARVAN INST MED RES (AU) 1994-10-20 EP disclosed
US-4546182-A TREATMENT OF RESPIRATORY AND CARDIO-VASCULAR DISORDERS AKTIEBOLAGET DRACO (SE) 1985-10-08 US disclosed
EP-0101681-A4 Antibody to a mediator activity composition and its use in a pharmaceutical composition. UNIV ROCKEFELLER (US) 1985-06-06 EP disclosed
EP-0101681-A1 Antibody to a mediator activity composition and its use in a pharmaceutical composition. UNIV ROCKEFELLER (US) 1984-03-07 EP disclosed
WO-1983000930-A1 LIPOPROTEIN LIPASE SUPPRESSION BY ENDOTOXIN-INDUCE MEDIATOR (SHOCK ASSAY) UNIV ROCKEFELLER (US) 1983-03-17 WO disclosed