SCHEMBL3581545

SCHEMBL3581545

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
VNN1 O95497 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
MAPK14 Q16539 1/20 0.36
GCGR P47871 2/20 0.36
GIPR P48546 2/20 0.36
GLP1R P43220 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
CETP P11597 1/20 0.35
SLC6A9 P48067 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
SCHEMBL3581360 0.88 MCL1 (0.40) CNR1PPARGPPARDPPARA
SCHEMBL3581035 0.88 CNR1 (0.39) CNR1EPHX2LPAR1LPAR5SLC6A9
SCHEMBL3581034 0.84 LPAR1 (0.36) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL3570220 0.84 KDM5A (0.40) PPARGPPARDPPARAEPHX2NR1H4
SCHEMBL3574035 0.83 MEP1B (0.36) PPARGPPARDPPARALPAR1LPAR5
SCHEMBL3579938 0.82 MAPT (0.42) CNR1EPHX2NR1H4LPAR1LPAR5
SCHEMBL3578978 0.82 CNR1 (0.43) CNR1EPHX2NR1H4LPAR1LPAR5
SCHEMBL3583628 0.81 MCL1 (0.40) CNR1
SCHEMBL12520790 0.81 LPAR1 (0.47) CNR1PPARGPPARDPPARAEPHX2
SCHEMBL3571214 0.80 CNR1 (0.38) CNR1LPAR1LPAR5SLC6A9

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