SCHEMBL2656873

SCHEMBL2656873

Cn1nncc1COc1nn2c(-c3cc(Cl)on3)nnc2cc1C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.50
GABRG2 P18507 14/20 0.50
GABRB3 P28472 14/20 0.50
GABRA3 P34903 14/20 0.50
GABRA2 P47869 13/20 0.50
GABRA5 P31644 10/20 0.50
GABRA4 P48169 2/20 0.33
GABRA6 Q16445 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
SCHEMBL2657907 0.91 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655638 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658887 0.85 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657043 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003200 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657300 0.84 GABRG2 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998687 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656993 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656876 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003302 0.80 GABRA1 (0.42) 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 4 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
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