SCHEMBL2655855

SCHEMBL2655855

CCc1cc2nnc(-c3cc(C)on3)n2nc1OCc1ncnn1C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.59
GABRB3 P28472 20/20 0.59
GABRA3 P34903 20/20 0.59
GABRA1 P14867 19/20 0.59
GABRA2 P47869 17/20 0.59
GABRA5 P31644 14/20 0.59
GABRA4 P48169 2/20 0.59
GABRA6 Q16445 1/20 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
SCHEMBL7948029 0.91 GABRA1 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL23554590 0.86 GABRG2 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6997913 0.85 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6995185 0.85 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656160 0.85 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7002723 0.83 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6999952 0.82 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6997836 0.82 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7001434 0.82 GABRG2 (0.61) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656242 0.81 GABRA1 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2

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-1107967-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2001-06-20 EP disclosed
WO-2000012505-A2 TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2000-03-09 WO disclosed