SCHEMBL2657043

SCHEMBL2657043

Cn1nncc1COc1nn2c(-c3ccon3)nnc2cc1C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.51
GABRG2 P18507 19/20 0.51
GABRB3 P28472 19/20 0.51
GABRA3 P34903 19/20 0.51
GABRA2 P47869 17/20 0.51
GABRA5 P31644 14/20 0.49
LRRK2 Q5S007 1/20 0.34
GABRA4 P48169 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
SCHEMBL2657907 0.87 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656873 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657453 0.85 GABRG2 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655638 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658363 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2659141 0.84 GABRG2 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003927 0.84 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2656330 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998766 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657049 0.81 GABRA1 (0.47) 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