SCHEMBL11824906

SCHEMBL11824906

Cc1cnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.51
GABRA1 P14867 5/20 0.51
GABRA2 P47869 5/20 0.51
GABRB2 P47870 5/20 0.51
GABRA3 P34903 4/20 0.51
ADRA1A P35348 1/20 0.36
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCKBR P32239 1/20 0.33
PTGER1 P34995 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 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
Acetic Acid SCHEMBL11828455 0.95 GABRA1 (0.47) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL14328999 0.84 GABRA5 (0.48) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11828460 0.83 CYP2C9 (0.49) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL26146640 0.83 GABRA1 (0.46) GABRA5GABRA1GABRA2GABRB2GABRA3
Acetic Acid SCHEMBL11826427 0.82 CYP2C9 (0.49) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL2923843 0.82 GABRA1 (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL25878959 0.82 GABRA1 (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL26856071 0.82 GABRA1 (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL29893737 0.82 GABRA1 (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3
Hydrochloric Acid SCHEMBL25309438 0.81 GABRA1 (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3

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
US-3935122-A Grease compositions MOBIL OIL CORPORATION (US) 1976-01-27 US disclosed
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed