SCHEMBL2658337

SCHEMBL2658337

Cc1nnc(-c2ccccc2F)c2nc(OCc3ncn(C)n3)c(C3CCCC3)n12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
GABRA3 P34903 6/20 0.43
GABRA5 P31644 6/20 0.43
GABRA1 P14867 5/20 0.43
GABRA2 P47869 4/20 0.43
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL2658778 0.84 GABRG2 (0.37) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL7000068 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL6998547 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL6994991 0.82 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL7000849 0.79 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL7003044 0.78 GABRG2 (0.34) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL2658339 0.74 PDE5A (0.32) PDE5APDE1APDE1BPDE1C
SCHEMBL2658780 0.73 PDE5A (0.30) PDE5APDE1APDE1BPDE1C
SCHEMBL2657940 0.73 GABRG2 (0.53) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL341873 0.72 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA1

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