SCHEMBL30908736

SCHEMBL30908736

CN1C(=O)CN=C(c2cc(O)ccc2F)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
TSPO P30536 1/20 0.65
GABRA1 P14867 8/20 0.62
GABRA5 P31644 8/20 0.62
GABRA2 P47869 8/20 0.62
GABRA3 P34903 7/20 0.62
GABRG2 P18507 6/20 0.62
GABRB3 P28472 6/20 0.62
GABRB2 P47870 6/20 0.62
OPRK1 P41145 4/20 0.62
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62

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
SCHEMBL30908735 1.00 LMNA (0.65) LMNAGAATSPOGABRA1GABRA5
SCHEMBL25448587 1.00 LMNA (0.65) LMNAGAATSPOGABRA1GABRA5
SCHEMBL30908748 0.89 LMNA (0.66) LMNAGAATSPOGABRA1GABRA5
SCHEMBL25448586 0.89 LMNA (0.66) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL29564860 0.86 GABRA1 (0.72) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL29688065 0.86 GABRA1 (0.72) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL29440251 0.86 GABRA1 (0.72) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL156039 0.86 GABRA1 (0.72) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL29040947 0.85 GABRA1 (0.70) LMNAGAATSPOGABRA1GABRA5
Fludiazepam SCHEMBL27891072 0.85 GABRA1 (0.70) LMNAGAATSPOGABRA1GABRA5

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
CN-118055923-A Benzodiazepine derivatives as positive allosteric modulators of the GABAA γ1 receptor 豪夫迈·罗氏有限公司 2024-05-17 CN disclosed