SCHEMBL7002883

SCHEMBL7002883

COc1c(C2=CC=C2)c(-c2cnnn2C)nn2c(-c3ccon3)nnc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL7002461 0.83 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003645 0.83 LRRK2 (0.32) GABRG2GABRB3GABRA5LRRK2
SCHEMBL7001541 0.81 LRRK2 (0.32) GABRG2GABRB3GABRA5LRRK2
SCHEMBL6994216 0.68 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7001199 0.68 HPGD (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7005680 0.68 LRRK2 (0.34) GABRG2GABRB3GABRA3LRRK2
SCHEMBL14646362 0.66 CHRM1 (0.40)
SCHEMBL7002972 0.66 HPGD (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7002447 0.65 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2657049 0.64 GABRA1 (0.47) 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 1 patent. 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