SCHEMBL7005941

SCHEMBL7005941

Cn1nncc1COc1cc(C(C)(C)C)c2nnc(-c3ccon3)n2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.49
GABRG2 P18507 4/20 0.49
GABRB3 P28472 4/20 0.49
GABRA5 P31644 4/20 0.49
GABRA3 P34903 4/20 0.49
GABRA2 P47869 4/20 0.49
LRRK2 Q5S007 1/20 0.31
GABRA4 P48169 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
SCHEMBL6998762 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003973 0.85 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6999966 0.84 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7004128 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7001260 0.82 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003927 0.81 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003425 0.77 LRRK2 (0.32) LRRK2
SCHEMBL6998766 0.73 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2657043 0.71 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2657049 0.71 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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 1 patent. 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 disclosed