SCHEMBL3569645

SCHEMBL3569645

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.43
NLRP3 Q96P20 1/20 0.42
LPAR1 Q92633 5/20 0.40
LPAR5 Q9H1C0 4/20 0.40
SLC2A1 P11166 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
LPAR2 Q9HBW0 1/20 0.38
C5AR1 P21730 1/20 0.38
PPARD Q03181 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
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL3572707 0.95 CCR9 (0.42) CCR9LPAR1LPAR5LPAR2C5AR1
SCHEMBL3577563 0.93 NLRP3 (0.42) NLRP3LPAR1LPAR5SLC2A1PPARG
SCHEMBL3576208 0.91 NLRP3 (0.42) CCR9NLRP3LPAR1LPAR5SLC2A1
SCHEMBL3581908 0.90 NLRP3 (0.41) CCR9NLRP3LPAR1LPAR5SLC2A1
SCHEMBL3574675 0.88 NLRP3 (0.42) NLRP3LPAR1LPAR5SLC2A1LPAR2
SCHEMBL3580041 0.88 LPAR1 (0.41) CCR9NLRP3LPAR1LPAR5SLC2A1
SCHEMBL3569038 0.87 LPAR1 (0.40) CCR9NLRP3LPAR1LPAR5SLC2A1
SCHEMBL3575570 0.87 TRPV1 (0.42) CCR9LPAR1LPAR5SLC2A1LPAR2
SCHEMBL3577662 0.87 LPAR1 (0.43) LPAR1LPAR5PPARGPPARALPAR2
SCHEMBL3569879 0.86 POLB (0.46) CCR9NLRP3LPAR1LPAR5PPARG

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