SCHEMBL3572707

SCHEMBL3572707

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.42
LPAR1 Q92633 6/20 0.42
LPAR5 Q9H1C0 4/20 0.42
C5AR1 P21730 1/20 0.42
LPAR2 Q9HBW0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
CYP3A4 P08684 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL3569645 0.95 CCR9 (0.43) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3569038 0.92 LPAR1 (0.40) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3577662 0.91 LPAR1 (0.43) LPAR1LPAR5C5AR1LPAR2KDM4E
SCHEMBL3579102 0.90 LPAR1 (0.41) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3576449 0.90 LPAR1 (0.39) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3575570 0.89 TRPV1 (0.42) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3577812 0.89 LPAR1 (0.43) CCR9LPAR1LPAR5C5AR1LPAR2
SCHEMBL3577563 0.88 NLRP3 (0.42) LPAR1LPAR5C5AR1LPAR2KDM4E
SCHEMBL3580698 0.87 C5AR1 (0.44) CCR9C5AR1KDM4EALDH1A1GLA
SCHEMBL3576208 0.86 NLRP3 (0.42) CCR9LPAR1LPAR5C5AR1LPAR2

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