SCHEMBL3580041

SCHEMBL3580041

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.41
LPAR5 Q9H1C0 4/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
NLRP3 Q96P20 1/20 0.39
C5AR1 P21730 1/20 0.38
PPARD Q03181 1/20 0.38
CCR9 P51686 4/20 0.38
LPAR2 Q9HBW0 1/20 0.37
SLC2A1 P11166 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
PTGER4 P35408 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
SCHEMBL3576208 0.90 NLRP3 (0.42) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3569879 0.89 POLB (0.46) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3569645 0.88 CCR9 (0.43) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3581908 0.88 NLRP3 (0.41) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3579102 0.85 LPAR1 (0.41) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3572707 0.83 CCR9 (0.42) LPAR1LPAR5C5AR1CCR9LPAR2
SCHEMBL3576449 0.83 LPAR1 (0.39) LPAR1LPAR5NLRP3C5AR1CCR9
SCHEMBL3583852 0.83 LPAR1 (0.41) LPAR1LPAR5PPARGPPARAC5AR1
SCHEMBL3577563 0.81 NLRP3 (0.42) LPAR1LPAR5PPARGPPARANLRP3
SCHEMBL3577122 0.79 NLRP3 (0.42) LPAR1NLRP3C5AR1LPAR2SLC2A1

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 2 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