SCHEMBL4730399

SCHEMBL4730399

O=C(O)c1n[nH]c2c1COc1cc(I)c(-c3ccc(Cl)cc3Cl)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 10/20 0.40
MARS1 P56192 1/20 0.37
PRKAB2 O43741 6/20 0.37
PRKAG1 P54619 6/20 0.37
PRKAA2 P54646 6/20 0.37
PRKAA1 Q13131 6/20 0.37
PRKAG3 Q9UGI9 6/20 0.37
PRKAG2 Q9UGJ0 6/20 0.37
PRKAB1 Q9Y478 6/20 0.37
HCAR2 Q8TDS4 1/20 0.34
ALPG P10696 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL4728060 0.92 ALPL (0.43) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4779778 0.88 ALPL (0.40) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4727651 0.87 MARS1 (0.43) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4726990 0.85 PDGFRB (0.40) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4730236 0.84 ESRRB (0.39) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4729857 0.83 PRKAB2 (0.47) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4728706 0.81 ALPL (0.43) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4731322 0.78 MARS1 (0.44) ALPLMARS1PRKAB2PRKAG1PRKAA2
SCHEMBL4727175 0.78 HCAR2 (0.39) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4726712 0.77 MAPT (0.42) ALPLKDM4EHSD17B10

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed