SCHEMBL3577779

SCHEMBL3577779

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC2A1 P11166 4/20 0.43
LRRK2 Q5S007 1/20 0.42
MAOB P27338 4/20 0.42
PDGFRA P16234 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CYP3A4 P08684 1/20 0.41
NR4A2 P43354 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PPARA Q07869 1/20 0.39
MBTPS1 Q14703 1/20 0.38

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
SCHEMBL3570210 0.95 FFAR1 (0.46) FFAR1FFAR4SLC2A1LRRK2MAOB
SCHEMBL3574032 0.92 FFAR1 (0.41) FFAR1FFAR4SLC2A1LRRK2MAOB
SCHEMBL3581565 0.88 SLC2A1 (0.43) FFAR1FFAR4SLC2A1MAOBPDGFRA
SCHEMBL3575570 0.88 TRPV1 (0.42) SLC2A1CYP3A4KMT2ALPAR1LPAR5
SCHEMBL3585679 0.88 LMNA (0.44) SLC2A1S1PR1S1PR5CYP3A4KMT2A
SCHEMBL3576064 0.88 LMNA (0.46) FFAR1FFAR4SLC2A1MAOBPDGFRA
SCHEMBL3579168 0.87 SLC2A1 (0.41) SLC2A1CYP3A4KMT2ALPAR1LPAR5
SCHEMBL3576819 0.87 SLC2A1 (0.41) FFAR1FFAR4SLC2A1MAOBPDGFRA
SCHEMBL3584461 0.86 LMNA (0.44) SLC2A1S1PR1S1PR5CYP3A4KMT2A
SCHEMBL3573413 0.86 LMNA (0.44) SLC2A1CYP3A4MAPTKMT2ALPAR1

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