SCHEMBL5772396

SCHEMBL5772396

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA3 P34903 2/20 0.43
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 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
CHRM1 P11229 1/20 0.32
PTGER1 P34995 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCKBR P32239 1/20 0.31
PTGFR P43088 2/20 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
SCHEMBL19006536 0.92 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL19006662 0.92 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL19006668 0.90 GABRA1 (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL5769443 0.83 GABRA1 (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL25878959 0.82 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2923843 0.82 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL29893737 0.82 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
Acetic Acid SCHEMBL11828455 0.82 GABRA1 (0.47) GABRA1GABRA5GABRA2GABRB2GABRA3
Hydrochloric Acid SCHEMBL25309438 0.82 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL20545137 0.81 CHRM1 (0.42) CYP1A2CHRM1

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
EP-1183243-B1 SHORT-ACTING BENZODIAZEPINES CENES LTD (GB) 2006-02-08 EP claimed