SCHEMBL2658780

SCHEMBL2658780

Cc1nnc(-c2ccccc2F)c2nc(OC(C)c3c[nH]nn3)c(C3CCCC3)n12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL2658339 0.83 PDE5A (0.32) PDE5APDE1APDE1BPDE1C
SCHEMBL7000068 0.75 GABRG2 (0.36) PDE5APDE1APDE1BPDE1C
SCHEMBL2658337 0.73 GABRG2 (0.43) PDE5APDE1APDE1BPDE1C
SCHEMBL6998547 0.73 GABRG2 (0.48)
SCHEMBL6994991 0.72 GABRG2 (0.47)
SCHEMBL7000849 0.71 GABRG2 (0.45) PDE5APDE1APDE1BPDE1C
SCHEMBL7003044 0.68 GABRG2 (0.34) PDE5APDE1APDE1BPDE1C
SCHEMBL2657940 0.63 GABRG2 (0.53)
SCHEMBL5227783 0.63 GABRG2 (0.52)
SCHEMBL6294081 0.63 DCTPP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP claimed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US claimed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed
EP-1212324-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-06-12 EP disclosed
WO-2001014377-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-03-01 WO disclosed