SCHEMBL7430636

SCHEMBL7430636

CC(C)CN(Cc1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1)CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRA6 Q16445 1/20 0.51

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
SCHEMBL7428697 0.91
SCHEMBL7392150 0.89 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7389913 0.89
SCHEMBL7393119 0.87
SCHEMBL8871346 0.87 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7390153 0.86 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7307687 0.85
SCHEMBL7386192 0.84
SCHEMBL7391705 0.84
SCHEMBL7385043 0.84 GABRA1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672666-B1 Imidazodiazepins HOFFMANN LA ROCHE (CH) 2001-07-25 EP disclosed
US-5665718-A ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed