SCHEMBL3579477

SCHEMBL3579477

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
NLRP3 Q96P20 1/20 0.36
SLC2A1 P11166 1/20 0.36
C5AR1 P21730 1/20 0.36
F10 P00742 2/20 0.35
F2 P00734 1/20 0.35
F7 P08709 1/20 0.35
CHRNA7 P36544 1/20 0.34
ROCK1 Q13464 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
LPAR1 Q92633 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL3569329 0.94 C5AR1 (0.41) C5AR1F10CHRNA7KMT2AMEN1
SCHEMBL3574217 0.94 MCHR1 (0.37) MCHR1NLRP3SLC2A1C5AR1F10
SCHEMBL3587988 0.93 MCHR1 (0.39) MCHR1NLRP3F10F2F7
SCHEMBL3574238 0.90 MLYCD (0.35) C5AR1F10MLYCD
SCHEMBL3581889 0.88 C5AR1 (0.40) C5AR1F10CHRNA7KMT2AMEN1
SCHEMBL3583620 0.88 MCHR1 (0.40) MCHR1NLRP3SLC2A1C5AR1F10
SCHEMBL3581186 0.88 CNR1 (0.39) SLC2A1C5AR1LMNAGAAKMT2A
SCHEMBL3580332 0.86 C5AR1 (0.35) C5AR1F10KDM4ELPAR1KMT2A
SCHEMBL3577424 0.86 NLRP3 (0.39) MCHR1NLRP3SLC2A1C5AR1CHRNA7
SCHEMBL3577776 0.84 MCHR1 (0.37) MCHR1NLRP3F10F2F7

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