SCHEMBL7092977

SCHEMBL7092977

CCCCc1cc(OCc2ncnn2C)nn2c(-c3ccccc3)nnc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 17/20 0.55
GABRB3 P28472 17/20 0.55
GABRA3 P34903 17/20 0.55
GABRA1 P14867 14/20 0.55
GABRA2 P47869 11/20 0.55
GABRA5 P31644 8/20 0.55
HSD11B1 P28845 2/20 0.41

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
SCHEMBL6997828 0.81 GABRA1 (0.41) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7092981 0.81 GABRG2 (0.72) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6030276 0.78 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2654038 0.76 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341534 0.74 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL342931 0.72 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7093794 0.72 GABRA1 (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2652425 0.71 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341232 0.70 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340744 0.69 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2

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-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed