SCHEMBL7006237

SCHEMBL7006237

CCOc1cc(-c2nnc3c(C(C)(C)C)cc(OCc4ncn(C)n4)nn23)no1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.37
GABRG2 P18507 11/20 0.37
GABRB3 P28472 11/20 0.37
GABRA5 P31644 11/20 0.37
GABRA3 P34903 11/20 0.37
GABRA2 P47869 11/20 0.37
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL7005499 0.89 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7004228 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6999966 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7004128 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7005029 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003393 0.80 GABRG2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7473449 0.78 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003553 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7207913 0.76 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7006134 0.73 GABRA1 (0.62) 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 2 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