SCHEMBL3579944

SCHEMBL3579944

O=C(c1cc(Cl)cnc1NC1CC1)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
CRHR1 P34998 5/20 0.35
TRPM8 Q7Z2W7 1/20 0.32
GPR6 P46095 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
C5AR1 P21730 1/20 0.32
PYGL P06737 1/20 0.31
MLYCD O95822 1/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
CHEK1 O14757 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL3583620 0.91 MCHR1 (0.40) MCHR1CRHR1C5AR1TACR1
SCHEMBL3580209 0.91 MCHR1 (0.40) MCHR1CRHR1OPRM1OPRD1
SCHEMBL3576670 0.90 MCHR1 (0.38) MCHR1CRHR1
SCHEMBL3574238 0.88 MLYCD (0.35) TRPM8OPRM1OPRD1C5AR1MLYCD
SCHEMBL3577036 0.86 MCHR1 (0.43) MCHR1OPRM1OPRD1C5AR1PYGL
SCHEMBL3576972 0.84 BTK (0.36) CRHR1GPR6OPRM1OPRD1
SCHEMBL3586536 0.82 MCHR1 (0.37) MCHR1CRHR1
SCHEMBL3584062 0.81 GBA1 (0.34) OPRM1OPRD1MLYCDTRPV1
SCHEMBL3569329 0.80 C5AR1 (0.41) C5AR1MLYCD
SCHEMBL3576692 0.79 ESRRG (0.37) TRPM8OPRM1OPRD1C5AR1TRPV1

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