SCHEMBL6998656

SCHEMBL6998656

CCOc1cc(-c2nnc3cc(C(C)(C)C)c(OCc4cnnn4C)nn23)no1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.51
GABRG2 P18507 12/20 0.51
GABRB3 P28472 12/20 0.51
GABRA3 P34903 12/20 0.51
GABRA2 P47869 11/20 0.51
GABRA5 P31644 10/20 0.51
GABRA4 P48169 2/20 0.39
GABRA6 Q16445 1/20 0.31

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 0.90 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656993 0.88 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7005029 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003927 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7002729 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7002145 0.84 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655638 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655647 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6999966 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656891 0.82 GABRA1 (0.45) 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 3 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
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed