SCHEMBL3574141

SCHEMBL3574141

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.41
LPAR5 Q9H1C0 4/20 0.41
C5AR1 P21730 1/20 0.41
LPAR2 Q9HBW0 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
ALDH1A1 P00352 1/20 0.37
FABP2 P12104 1/20 0.37
PPARD Q03181 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.36
HSP90AA1 P07900 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL3579102 0.91 LPAR1 (0.41) LPAR1LPAR5C5AR1LPAR2PPARG
SCHEMBL3577662 0.90 LPAR1 (0.43) LPAR1LPAR5C5AR1LPAR2PPARG
SCHEMBL3581531 0.87 C5AR1 (0.43) LPAR1LPAR5C5AR1ALDH1A1SMN1; SMN2
SCHEMBL3576208 0.87 NLRP3 (0.42) LPAR1LPAR5C5AR1LPAR2PPARG
SCHEMBL3577563 0.85 NLRP3 (0.42) LPAR1LPAR5C5AR1LPAR2PPARG
SCHEMBL3586617 0.83 C5AR1 (0.41) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3587697 0.83 C5AR1 (0.41) LPAR1LPAR5C5AR1LPAR2ALDH1A1
SCHEMBL3581435 0.82 TP53 (0.41) LPAR1LPAR5C5AR1SMN1; SMN2NLRP3
SCHEMBL3581190 0.82 TRPV1 (0.41) LPAR1LPAR5C5AR1LPAR2SMN1; SMN2
SCHEMBL3583688 0.82 C5AR1 (0.42) LPAR1LPAR5C5AR1LPAR2OPRM1

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