SCHEMBL2659313

SCHEMBL2659313

Cn1ncnc1COc1nn2c(-c3ccoc3)nnc2cc1C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.76
GABRB3 P28472 20/20 0.76
GABRA3 P34903 20/20 0.76
GABRA1 P14867 12/20 0.76
GABRA2 P47869 9/20 0.65
GABRA5 P31644 6/20 0.65
GABRA4 P48169 1/20 0.43

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
SCHEMBL341860 0.86 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7001266 0.84 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655052 0.82 GABRG2 (0.51) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2652503 0.81 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655528 0.80 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6997913 0.80 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6998632 0.80 GABRG2 (0.74) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6996450 0.79 GABRG2 (0.67) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657599 0.79 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6998720 0.79 GABRG2 (0.66) 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