SCHEMBL4690166

SCHEMBL4690166

Cc1oc2c(CCO)cccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
GLA P06280 1/20 0.33
STING1 Q86WV6 1/20 0.33
SLC11A2 P49281 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
MAOA P21397 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL8081899 0.83 GLA (0.38) GLASTING1SLC11A2MTNR1AMTNR1B
SCHEMBL19445519 0.79 SLC11A2 (0.49) GLASTING1SLC11A2MTNR1AMTNR1B
SCHEMBL15892075 0.77 MCL1 (0.42) GLASTING1SLC11A2MTNR1AMTNR1B
SCHEMBL4690679 0.76 GABRA1 (0.40) GABRA1GABRB2GLASTING1SLC11A2
SCHEMBL15890445 0.75 SLC11A2 (0.46) GLASTING1SLC11A2MTNR1AMTNR1B
SCHEMBL4690070 0.75 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL11551571 0.71 PDCD1 (0.35) SLC11A2MTNR1AMTNR1BALDH1A1PDCD1
SCHEMBL7829502 0.70 ALDH1A1 (0.39) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL7824589 0.70 PDCD1 (0.43) GLASTING1SLC11A2PDCD1CD274
SCHEMBL6219249 0.70 GABRA1 (0.41) GABRA1GABRB2ALDH1A1PDCD1CD274

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed