SCHEMBL3574035

SCHEMBL3574035

CCC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
CACNA1H O95180 1/20 0.35
MAPT P10636 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL3581034 0.92 LPAR1 (0.36) MEP1BLPAR1LPAR5CACNA1HMAPT
SCHEMBL3578417 0.87 MCL1 (0.38) MAPTLMNAALDH1A1
SCHEMBL3574865 0.86 LPAR1 (0.38) MEP1BLPAR1LPAR5MAPTPPARG
SCHEMBL3581545 0.83 CNR1 (0.40) LPAR1LPAR5PPARGPPARDPPARA
SCHEMBL3582291 0.79 MCL1 (0.39) LMNA
SCHEMBL3569982 0.79 LPAR1 (0.41) MEP1BLPAR1LPAR5MAPTPPARG
SCHEMBL3577275 0.79 MCL1 (0.39) LMNA
SCHEMBL3571223 0.78 MAPK14 (0.39) LMNA
SCHEMBL3581360 0.77 MCL1 (0.40) PPARGPPARDPPARALMNA
SCHEMBL9956474 0.77 MEP1B (0.36) MEP1BCACNA1HMAPTPPARGPPARD

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