SCHEMBL3576449

SCHEMBL3576449

N#CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.39
LPAR5 Q9H1C0 4/20 0.39
C5AR1 P21730 1/20 0.39
CCR9 P51686 4/20 0.38
LPAR2 Q9HBW0 1/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
NLRP3 Q96P20 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL3581908 0.96 NLRP3 (0.41) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3577894 0.90 TRPV1 (0.40) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3579102 0.90 LPAR1 (0.41) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3572707 0.90 CCR9 (0.42) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3584684 0.86 C5AR1 (0.39) LPAR1LPAR5C5AR1LPAR2NLRP3
SCHEMBL3583799 0.86 CNR1 (0.40) LPAR1LPAR5C5AR1LPAR2ATM
SCHEMBL3576208 0.86 NLRP3 (0.42) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3569645 0.85 CCR9 (0.43) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3582286 0.85 NLRP3 (0.41) LPAR1LPAR2NLRP3
SCHEMBL3576631 0.84 CNR1 (0.38) LPAR1LPAR5C5AR1ATMTRPV1

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