SCHEMBL3576340

SCHEMBL3576340

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 1/20 0.41
TRPM8 Q7Z2W7 1/20 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
TRPV1 Q8NER1 1/20 0.38
ATM Q13315 1/20 0.38
SLC2A1 P11166 2/20 0.37
C5AR1 P21730 1/20 0.37
CETP P11597 1/20 0.36
CCR9 P51686 1/20 0.36
PTGER4 P35408 1/20 0.36
P2RY14 Q15391 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3577812 0.90 LPAR1 (0.43) CNR1LPAR1LPAR5TRPM8P2RX1
SCHEMBL3586145 0.89 CNR1 (0.42) CNR1LPAR1LPAR5TRPM8P2RX1
SCHEMBL3583320 0.88 CNR1 (0.41) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3579622 0.87 CETP (0.43) CNR1ATMSLC2A1C5AR1CETP
SCHEMBL3583070 0.86 SCN9A (0.40) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3584052 0.86 PTGER4 (0.43) CNR1LPAR1LPAR5TRPM8KDM5A
SCHEMBL3577195 0.86 CNR1 (0.39) CNR1LPAR1LPAR5TRPM8P2RX1
SCHEMBL3575570 0.86 TRPV1 (0.42) CNR1LPAR1LPAR5TRPV1ATM
SCHEMBL3572707 0.85 CCR9 (0.42) LPAR1LPAR5TRPM8TRPV1ATM
SCHEMBL3579684 0.84 CNR1 (0.40) CNR1LPAR1LPAR5TRPM8P2RX1

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