SCHEMBL3576208

SCHEMBL3576208

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
CCR9 P51686 4/20 0.40
LPAR1 Q92633 5/20 0.39
LPAR5 Q9H1C0 4/20 0.39
PPARD Q03181 1/20 0.39
LPAR2 Q9HBW0 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC2A1 P11166 1/20 0.37
C5AR1 P21730 1/20 0.37
LMNA P02545 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
SCHEMBL3579102 0.95 LPAR1 (0.41) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3569645 0.91 CCR9 (0.43) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3581908 0.91 NLRP3 (0.41) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3580041 0.90 LPAR1 (0.41) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3569879 0.90 POLB (0.46) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3577122 0.89 NLRP3 (0.42) NLRP3LPAR1LPAR2SLC2A1C5AR1
SCHEMBL3581190 0.87 TRPV1 (0.41) CCR9LPAR1LPAR5LPAR2CYP3A4
SCHEMBL3574141 0.87 LPAR1 (0.41) NLRP3PPARGPPARALPAR1LPAR5
SCHEMBL3581435 0.86 TP53 (0.41) NLRP3CCR9LPAR1LPAR5C5AR1
SCHEMBL3572707 0.86 CCR9 (0.42) CCR9LPAR1LPAR5LPAR2CYP3A4

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