SCHEMBL3569879

SCHEMBL3569879

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NLRP3 Q96P20 1/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
CCR9 P51686 3/20 0.39
PPARD Q03181 1/20 0.37
LPAR1 Q92633 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
NPC1 O15118 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
F10 P00742 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
CYP3A4 P08684 1/20 0.34
PDE6D O43924 1/20 0.34

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) NLRP3LMNAPPARGPPARACCR9
SCHEMBL3580041 0.89 LPAR1 (0.41) NLRP3PPARGPPARACCR9PPARD
SCHEMBL3569645 0.86 CCR9 (0.43) NLRP3PPARGPPARACCR9PPARD
SCHEMBL3581908 0.86 NLRP3 (0.41) NLRP3PPARGPPARACCR9PPARD
SCHEMBL3579102 0.85 LPAR1 (0.41) NLRP3PPARGPPARACCR9LPAR1
SCHEMBL3576346 0.85 CNR1 (0.38) POLBPPARGPPARAPPARDLPAR1
SCHEMBL3572707 0.82 CCR9 (0.42) CCR9LPAR1LPAR2LPAR5CYP3A4
SCHEMBL3576449 0.81 LPAR1 (0.39) NLRP3CCR9LPAR1LPAR2LPAR5
SCHEMBL3577563 0.80 NLRP3 (0.42) NLRP3PPARGPPARAPPARDLPAR1
SCHEMBL3577122 0.79 NLRP3 (0.42) NLRP3LPAR1LPAR2F10

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 1 patent. 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