SCHEMBL11628537

SCHEMBL11628537

CCOC(=O)c1ncn2c1CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.66
GABRB3 P28472 10/20 0.66
GABRA3 P34903 6/20 0.66
GABRA5 P31644 8/20 0.64
GABRA2 P47869 5/20 0.64
GABRA1 P14867 4/20 0.64
GABRA4 P48169 2/20 0.64
GABRA6 Q16445 2/20 0.64
GABRB2 P47870 3/20 0.64

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
SCHEMBL7722534 0.91 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL30730005 0.91 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL2841060 0.90 GABRG2 (0.76) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7317652 0.90 GABRA3 (0.60) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7353479 0.86 GABRA3 (0.57) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7525762 0.85 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7317516 0.85 GABRA3 (0.48) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7285884 0.84 GABRA3 (0.47) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7309925 0.83 GABRA3 (0.55) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7307646 0.81 GABRA3 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA2

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
US-4118386-A Synthesis of imidazo[1,5-a]diazepine-3-carboxylates HOFFMANN-LA ROCHE INC. (US) 1978-10-03 US disclosed