SCHEMBL3581464

SCHEMBL3581464

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cccnc2N2CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
TRPA1 O75762 3/20 0.41
KCNH2 Q12809 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3580336 0.98 MAPT (0.42) TRPV1TRPA1KCNH2TRPM8MAPT
SCHEMBL3578401 0.86 CNR2 (0.39) TRPV1OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3578400 0.86 CNR2 (0.39) TRPV1OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3573203 0.85 RAF1 (0.40) MAPTOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3582883 0.84 RAF1 (0.40) MAPTOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL3580658 0.82 RAF1 (0.39) OPRM1OPRD1HCRTR1HCRTR2RAF1
SCHEMBL3575452 0.82 KMT2A (0.42) OPRM1OPRD1RAF1MAP2K1MEN1
SCHEMBL3583661 0.80 BTK (0.41) TRPV1TRPA1KCNH2TRPM8OPRM1
SCHEMBL3581747 0.79 CCR9 (0.39) MAPTOPRM1OPRD1HSD17B10RAF1
SCHEMBL3574429 0.78 KDM4C (0.39) TRPV1MAPTOPRM1OPRD1TSHR

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