SCHEMBL3577812

SCHEMBL3577812

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 2/20 0.43
CNR1 P21554 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CCR9 P51686 3/20 0.40
P2RX1 P51575 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ATM Q13315 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37
SLC2A1 P11166 1/20 0.37
C5AR1 P21730 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DDR1 Q08345 1/20 0.36
P2RY14 Q15391 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
SCHEMBL3579168 0.90 SLC2A1 (0.41) LPAR1LPAR5CNR1TRPV1ATM
SCHEMBL3576340 0.90 CNR1 (0.42) LPAR1LPAR5CNR1TRPV1CCR9
SCHEMBL3586145 0.89 CNR1 (0.42) LPAR1LPAR5CNR1TRPV1CCR9
SCHEMBL3575570 0.89 TRPV1 (0.42) LPAR1LPAR5CNR1TRPV1CCR9
SCHEMBL3572707 0.89 CCR9 (0.42) LPAR1LPAR5TRPV1CCR9ATM
SCHEMBL3583320 0.88 CNR1 (0.41) LPAR1LPAR5CNR1TRPV1P2RX1
SCHEMBL3577662 0.88 LPAR1 (0.43) LPAR1LPAR5LPAR2C5AR1PPARG
SCHEMBL3583070 0.86 SCN9A (0.40) LPAR1LPAR5CNR1P2RX1KDM5A
SCHEMBL3583406 0.86 CNR1 (0.41) LPAR1LPAR5CNR1TRPV1KDM5A
SCHEMBL3569645 0.86 CCR9 (0.43) LPAR1LPAR5TRPV1CCR9LPAR2

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