SCHEMBL3583638

SCHEMBL3583638

CNc1ncc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.41
MCHR1 Q99705 4/20 0.37
LSS P48449 1/20 0.36
MBTPS1 Q14703 1/20 0.36
MAPT P10636 1/20 0.35
DEGS1 O15121 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
F10 P00742 4/20 0.35
CHRNA7 P36544 1/20 0.35
KLKB1 P03952 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34

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
SCHEMBL3576351 0.88 MCHR1 (0.35) C5AR1MCHR1MAPTOPRM1OPRD1
SCHEMBL3576804 0.88 SIGMAR1 (0.36) MCHR1MAPTFFAR4OPRM1OPRD1
SCHEMBL3573226 0.86 CNR1 (0.37) MEN1KMT2A
SCHEMBL3577569 0.85 C5AR1 (0.42) C5AR1F10CHRNA7KLKB1MEN1
SCHEMBL3581049 0.84 C5AR1 (0.43) C5AR1MCHR1LSSMBTPS1MAPT
SCHEMBL3574398 0.83 STAT3 (0.37) MEN1KMT2A
SCHEMBL3569329 0.83 C5AR1 (0.41) C5AR1F10CHRNA7KLKB1MEN1
SCHEMBL3581889 0.82 C5AR1 (0.40) C5AR1F10CHRNA7KLKB1MEN1
SCHEMBL3576589 0.82 CHRNA7 (0.40) C5AR1MAPTF10CHRNA7MEN1
SCHEMBL3578672 0.80 GBA1 (0.34) MAPTOPRM1OPRD1

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