SCHEMBL4727572

SCHEMBL4727572

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1C(C)(C)Oc1cc(-c3ccc(Cl)cc3)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.49
▸ CNR2 P34972 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ PPARA Q07869 2/20 0.45

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
SCHEMBL4726236 0.96 GABRA2 (0.47) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4730476 0.95 CNR1 (0.45) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4729420 0.95 CNR1 (0.46) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4728992 0.92 CNR1 (0.45) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4779852 0.91 KDM4E (0.48) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4784500 0.91 CNR1 (0.44) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4728229 0.90 KDM4E (0.47) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4876719 0.88 KDM4E (0.45) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4728972 0.84 MARS1 (0.48) CNR1CNR2PPARA
SCHEMBL4784498 0.82 MARS1 (0.49) CNR1CNR2PPARA

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
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