SCHEMBL4726236

SCHEMBL4726236

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1C(C)(C)Oc1cc(-c3ccccc3)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ CNR1 P21554 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PPARA Q07869 1/20 0.44
▸ CNR2 P34972 4/20 0.43

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
SCHEMBL4729420 0.96 CNR1 (0.46) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4727572 0.96 CNR1 (0.49) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4730476 0.93 CNR1 (0.45) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4728992 0.93 CNR1 (0.45) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4784500 0.91 CNR1 (0.44) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4779852 0.89 KDM4E (0.48) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4728972 0.89 MARS1 (0.48) CNR1PPARACNR2
SCHEMBL4728229 0.88 KDM4E (0.47) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4876719 0.86 KDM4E (0.45) GABRA2GABRB2CNR1KDM4EMEN1
SCHEMBL4729313 0.85 CNR1 (0.44) CNR1PPARACNR2

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 1 patent. 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
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