SCHEMBL3577424

SCHEMBL3577424

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.39
SLC2A1 P11166 1/20 0.39
CHRNA7 P36544 2/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
LPAR1 Q92633 5/20 0.37
LPAR5 Q9H1C0 5/20 0.37
SLC2A4 P14672 1/20 0.36
SLC2A8 Q9NY64 1/20 0.36
MCHR1 Q99705 1/20 0.36
MTTP P55157 1/20 0.36
ROCK1 Q13464 1/20 0.35
C5AR1 P21730 1/20 0.35

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
SCHEMBL3576589 0.94 CHRNA7 (0.40) SLC2A1CHRNA7PPARGPPARAPPARD
SCHEMBL3575233 0.87 SLC2A1 (0.42) SLC2A1PPARGPPARAPPARDLPAR1
SCHEMBL3583406 0.87 CNR1 (0.41) SLC2A1PTGER4LPAR1LPAR5
SCHEMBL3579477 0.86 MCHR1 (0.37) NLRP3SLC2A1CHRNA7PTGER4PTGER2
SCHEMBL3574217 0.85 MCHR1 (0.37) NLRP3SLC2A1CHRNA7PTGER4PTGER2
SCHEMBL3577563 0.85 NLRP3 (0.42) NLRP3SLC2A1PPARGPPARAPPARD
SCHEMBL3569329 0.80 C5AR1 (0.41) CHRNA7C5AR1
SCHEMBL3581889 0.79 C5AR1 (0.40) CHRNA7C5AR1
SCHEMBL3577662 0.79 LPAR1 (0.43) PPARGPPARAPPARDLPAR1LPAR5
SCHEMBL3577569 0.79 C5AR1 (0.42) CHRNA7PTGER4LPAR1LPAR5C5AR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed