SCHEMBL3582819

SCHEMBL3582819

CC(C)Nc1ccc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
NLRP3 Q96P20 1/20 0.38
C5AR1 P21730 1/20 0.37
MCHR1 Q99705 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
LPAR1 Q92633 3/20 0.34
LPAR2 Q9HBW0 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
SLC2A1 P11166 1/20 0.34
CCR3 P51677 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3584582 0.93 LMNA (0.38) LMNANLRP3C5AR1MCHR1F2
SCHEMBL3576622 0.90 LMNA (0.37) LMNAC5AR1LPAR1LPAR2MAPT
SCHEMBL3575259 0.88 LMNA (0.41) LMNAC5AR1GAASMN1; SMN2SLC2A1
SCHEMBL3577159 0.85 C5AR1 (0.42) LMNAC5AR1F10LPAR1LPAR2
SCHEMBL3587697 0.83 C5AR1 (0.41) LMNANLRP3C5AR1F10LPAR1
SCHEMBL3586383 0.83 NLRP3 (0.39) LMNANLRP3C5AR1MCHR1F2
SCHEMBL3584684 0.81 C5AR1 (0.39) LMNANLRP3C5AR1F10LPAR1
SCHEMBL9958175 0.81 F2 (0.39) LMNANLRP3C5AR1MCHR1F2
SCHEMBL3571486 0.80 LMNA (0.41) LMNAC5AR1GAASMN1; SMN2SLC2A1
SCHEMBL3579477 0.79 MCHR1 (0.37) LMNANLRP3C5AR1MCHR1F2

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