SCHEMBL3587988

SCHEMBL3587988

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
CHRNA7 P36544 1/20 0.35
ROCK1 Q13464 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 2/20 0.34
MLYCD O95822 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 2/20 0.33
SLC2A4 P14672 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
SCHEMBL3579477 0.93 MCHR1 (0.37) MCHR1F2F10F7CHRNA7
SCHEMBL3577776 0.91 MCHR1 (0.37) MCHR1F2F10F7CHRNA7
SCHEMBL3569329 0.87 C5AR1 (0.41) F10CHRNA7KMT2AMLYCDMEN1
SCHEMBL3574217 0.86 MCHR1 (0.37) MCHR1F2F10F7CHRNA7
SCHEMBL3574238 0.83 MLYCD (0.35) F10MLYCD
SCHEMBL3574285 0.81 ESRRG (0.36) TP53MAPT
SCHEMBL3584062 0.81 GBA1 (0.34) MLYCD
SCHEMBL3581186 0.81 CNR1 (0.39) KMT2AMEN1LMNAGAA
SCHEMBL3583620 0.81 MCHR1 (0.40) MCHR1F2F10F7NLRP3
SCHEMBL3581889 0.80 C5AR1 (0.40) F10CHRNA7KMT2AMEN1

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