SCHEMBL7307646

SCHEMBL7307646

COC(=O)c1ncn2c1CN=C(c1ccccc1Cl)c1cc(CCl)ccc1-2

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 6/20 0.56
GABRA2 P47869 6/20 0.56
GABRG2 P18507 8/20 0.52
GABRB3 P28472 8/20 0.52
GABRA5 P31644 6/20 0.50
GABRA1 P14867 4/20 0.50
GABRA6 Q16445 2/20 0.50
GABRA4 P48169 1/20 0.50
GABRB2 P47870 2/20 0.49

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
SCHEMBL7317652 0.89 GABRA3 (0.60) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL11628537 0.81 GABRG2 (0.66) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7310012 0.80 GABRG2 (0.62) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7722534 0.79 GABRG2 (0.75) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7317878 0.78 GABRA2 (0.61) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7383286 0.78 GABRG2 (0.55) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7353479 0.78 GABRA3 (0.57) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL14282643 0.77 GABRG2 (0.66) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7317516 0.76 GABRA3 (0.48) GABRA3GABRA2GABRG2GABRB3GABRA5
SCHEMBL7285884 0.76 GABRA3 (0.47) GABRA3GABRA2GABRG2GABRB3GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed