SCHEMBL7263577

SCHEMBL7263577

CC(C)(C)c1nc(C(=O)O)c2n1-c1cccc(N)c1C(=O)N1CCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 9/20 0.45
▸ GABRB3 P28472 9/20 0.45
▸ GABRA5 P31644 9/20 0.45
▸ GABRA1 P14867 8/20 0.45
▸ GABRA3 P34903 8/20 0.45
▸ GABRA2 P47869 7/20 0.45
▸ GABRA6 Q16445 5/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GABRA4 P48169 6/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTR2B P41595 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL7264144 0.91 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4410188 0.89 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7272498 0.88 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7264149 0.88 GABRA1 (0.45) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7264072 0.87 GABRA1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263615 0.87 GABRA1 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7271283 0.87 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7264146 0.86 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7265329 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7263600 0.85 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3

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-0059391-A1 Imidazodiazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 — — EP claimed
EP-0059391-A1 Imidazodiazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 — — EP disclosed
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