SCHEMBL3581905

SCHEMBL3581905

CN(C#N)c1ccc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.40
LPAR1 Q92633 9/20 0.38
LPAR5 Q9H1C0 6/20 0.38
LPAR2 Q9HBW0 1/20 0.38
SLC2A1 P11166 1/20 0.36
C5AR1 P21730 1/20 0.36
MCHR1 Q99705 1/20 0.36
CCR9 P51686 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
NSD2 O96028 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
GCGR P47871 1/20 0.34

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
SCHEMBL27730491 0.96 LPAR1 (0.40) NLRP3LPAR1LPAR5LPAR2C5AR1
SCHEMBL27750952 0.89 NLRP3 (0.40) NLRP3LPAR1LPAR2SLC2A1
SCHEMBL3577892 0.88 SLC2A1 (0.40) LPAR1LPAR5LPAR2SLC2A1C5AR1
SCHEMBL3581908 0.84 NLRP3 (0.41) NLRP3LPAR1LPAR5LPAR2SLC2A1
SCHEMBL3569645 0.82 CCR9 (0.43) NLRP3LPAR1LPAR5LPAR2SLC2A1
SCHEMBL27750937 0.82 C5AR1 (0.40) NLRP3LPAR1LPAR5LPAR2C5AR1
SCHEMBL3576630 0.82 LPAR1 (0.37) LPAR1LPAR5LPAR2C5AR1
SCHEMBL3576208 0.81 NLRP3 (0.42) NLRP3LPAR1LPAR5LPAR2SLC2A1
SCHEMBL3576381 0.81 STAT3 (0.38) LPAR1LPAR5LPAR2
SCHEMBL3581285 0.80 LPAR1 (0.36) LPAR1LPAR5LPAR2C5AR1

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