SCHEMBL4689929

SCHEMBL4689929

Cc1sc2c(CCO)cccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
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

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
SCHEMBL4694392 0.76 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL4690928 0.74
SCHEMBL10432656 0.73 PSMB8 (0.36) GABRA1GABRB2ALDH1A1
SCHEMBL2308024 0.73 CYP19A1 (0.40) ALDH1A1
SCHEMBL31719750 0.70 GABRA1 (0.41) GABRA1GABRB2ALDH1A1PDCD1CD274
SCHEMBL6219249 0.70 GABRA1 (0.41) GABRA1GABRB2ALDH1A1PDCD1CD274
SCHEMBL3966265 0.69 FAAH (0.34) GABRA1GABRB2TSHR
SCHEMBL3966479 0.69 CA2 (0.34) GABRA1GABRB2
SCHEMBL3962976 0.69 FAAH (0.34) GABRA1GABRB2TSHR
SCHEMBL3964352 0.69 EDNRA (0.30)

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