SCHEMBL2656891

SCHEMBL2656891

Cc1nc(-c2nnc3cc(C(C)(C)C)c(OCc4cnnn4C)nn23)no1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.45
GABRG2 P18507 10/20 0.45
GABRB3 P28472 10/20 0.45
GABRA3 P34903 10/20 0.45
GABRA2 P47869 9/20 0.45
GABRA5 P31644 5/20 0.45
GABRA4 P48169 1/20 0.33

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
SCHEMBL6997450 0.84 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657058 0.83 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656993 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658899 0.82 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003927 0.82 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6996450 0.82 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998656 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658850 0.74 GABRG2 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7000097 0.73 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23554459 0.70 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP claimed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed
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