SCHEMBL3569038

SCHEMBL3569038

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.40
LPAR5 Q9H1C0 5/20 0.40
C5AR1 P21730 1/20 0.40
LPAR2 Q9HBW0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
CCR9 P51686 1/20 0.35
NLRP3 Q96P20 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGIR P43119 1/20 0.35
CETP P11597 1/20 0.35
SLC2A1 P11166 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
FABP2 P12104 1/20 0.34
PPARD Q03181 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3572707 0.92 CCR9 (0.42) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3577662 0.89 LPAR1 (0.43) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3569645 0.87 CCR9 (0.43) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3580876 0.85 LPAR1 (0.36) LPAR1LPAR5C5AR1ALDH1A1GAA
SCHEMBL3577563 0.85 NLRP3 (0.42) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3580698 0.84 C5AR1 (0.44) C5AR1ALDH1A1GAAKDM4EGLA
SCHEMBL3577159 0.83 C5AR1 (0.42) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3571491 0.83 C5AR1 (0.42) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3584106 0.83 LPAR1 (0.59) LPAR1LPAR5C5AR1LPAR2
SCHEMBL3584209 0.82 C5AR1 (0.45) LPAR1LPAR5C5AR1LPAR2ALDH1A1

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