SCHEMBL7264149

SCHEMBL7264149

CCc1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)O)nc(C(C)(C)C)n1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 8/20 0.45
▸ GABRG2 P18507 8/20 0.45
▸ GABRB3 P28472 8/20 0.45
▸ GABRA5 P31644 8/20 0.45
▸ GABRA3 P34903 8/20 0.45
▸ GABRA2 P47869 7/20 0.45
▸ GABRA6 Q16445 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GABRA4 P48169 3/20 0.38
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PMP22 Q01453 1/20 0.35

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 0.89 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4410188 0.88 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7263577 0.88 GABRG2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7272498 0.87 GABRG2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7263615 0.86 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7264072 0.86 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7271283 0.86 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7264146 0.85 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7265329 0.84 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7263624 0.83 GABRG2 (0.50) 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-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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