SCHEMBL3577563

SCHEMBL3577563

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
LPAR1 Q92633 6/20 0.40
LPAR5 Q9H1C0 4/20 0.40
SLC2A1 P11166 1/20 0.40
PPARD Q03181 2/20 0.40
LPAR2 Q9HBW0 1/20 0.38
C5AR1 P21730 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.36
CCR3 P51677 1/20 0.36
SLC2A4 P14672 1/20 0.36
SLC2A8 Q9NY64 1/20 0.36

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
SCHEMBL3577662 0.94 LPAR1 (0.43) PPARGPPARALPAR1LPAR5PPARD
SCHEMBL3569645 0.93 CCR9 (0.43) NLRP3PPARGPPARALPAR1LPAR5
SCHEMBL3572707 0.88 CCR9 (0.42) LPAR1LPAR5LPAR2C5AR1KDM4E
SCHEMBL3577812 0.86 LPAR1 (0.43) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL3579168 0.86 SLC2A1 (0.41) PPARGPPARALPAR1LPAR5SLC2A1
SCHEMBL3569038 0.85 LPAR1 (0.40) NLRP3PPARGPPARALPAR1LPAR5
SCHEMBL3574141 0.85 LPAR1 (0.41) NLRP3PPARGPPARALPAR1LPAR5
SCHEMBL3577424 0.85 NLRP3 (0.39) NLRP3PPARGPPARALPAR1LPAR5
SCHEMBL3586383 0.84 NLRP3 (0.39) NLRP3LPAR1LPAR5SLC2A1LPAR2
SCHEMBL3576208 0.84 NLRP3 (0.42) NLRP3PPARGPPARALPAR1LPAR5

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