SCHEMBL7001797

SCHEMBL7001797

c1ccc(Cn2ccnc2COc2nn3c(-c4ccon4)nnc3cc2C2CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 17/20 0.51
GABRB3 P28472 17/20 0.51
GABRA1 P14867 16/20 0.51
GABRA3 P34903 16/20 0.51
GABRA2 P47869 14/20 0.51
GABRA5 P31644 11/20 0.50
HSP90AA1 P07900 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2658042 0.88 GABRG2 (0.51) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL7004341 0.88 GABRA1 (0.53) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2658323 0.85 GABRG2 (0.50) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2655709 0.83 GABRA1 (0.51) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2655353 0.83 GABRA1 (0.45) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL7001803 0.81 GABRA1 (0.43) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2659141 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL7477660 0.78 GABRG2 (0.54) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2657453 0.76 GABRG2 (0.49) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2658363 0.76 GABRA1 (0.49) GABRG2GABRB3GABRA1GABRA3GABRA2

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