SCHEMBL6997828

SCHEMBL6997828

CCCCc1cc(OCc2ncnn2C)nn2c(-c3cc(Cl)on3)nnc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.41
GABRG2 P18507 14/20 0.41
GABRB3 P28472 14/20 0.41
GABRA3 P34903 14/20 0.41
GABRA2 P47869 13/20 0.41
GABRA5 P31644 9/20 0.41
GABRA4 P48169 2/20 0.41
GABRA6 Q16445 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
SCHEMBL6998714 0.85 GABRG2 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6997836 0.82 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7092977 0.81 GABRG2 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6997905 0.75 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7948029 0.73 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998720 0.70 GABRG2 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7001260 0.70 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6999123 0.68 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657308 0.68 GABRG2 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998762 0.68 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 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