SCHEMBL5769443

SCHEMBL5769443

Cc1cnc2n1-c1ccc(Br)cc1C(c1ccccn1)=N[C@H]2CC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA3 P34903 1/20 0.43
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
BRD4 O60885 1/20 0.33
CYP1A2 P05177 2/20 0.33
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
PTGER1 P34995 2/20 0.32
CCKBR P32239 1/20 0.31

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
SCHEMBL19006537 0.91 GABRA3 (0.41) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL19006602 0.91 GABRA3 (0.41) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL28516119 0.86 GABRA1 (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL25878959 0.86 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2923843 0.86 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL29893737 0.86 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
Hydrochloric Acid SCHEMBL25309438 0.85 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL26146551 0.84 GABRA1 (0.40) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL26856071 0.84 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL26146640 0.84 GABRA1 (0.46) GABRA1GABRA5GABRA2GABRB2GABRA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2891494-B1 METHOD FOR ADMINISTERING HYPNOTIC/SEDATIVE AGENT PAION UK LTD (GB) 2023-07-19 EP claimed
EP-1183243-B1 SHORT-ACTING BENZODIAZEPINES CENES LTD (GB) 2006-02-08 EP claimed
EP-2891494-B1 METHOD FOR ADMINISTERING HYPNOTIC/SEDATIVE AGENT PAION UK LTD (GB) 2023-07-19 EP disclosed