SCHEMBL3583632

SCHEMBL3583632

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2cccnc2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.37
MAP2K1 Q02750 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
AURKB Q96GD4 2/20 0.37
KDR P35968 1/20 0.37
KCNN4 O15554 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GRM4 Q14833 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
SCHEMBL3582883 0.90 RAF1 (0.40) RAF1MAP2K1HCRTR1HCRTR2OPRM1
SCHEMBL3576619 0.86 SLC2A1 (0.43) HCRTR1HCRTR2
SCHEMBL3573203 0.82 RAF1 (0.40) RAF1MAP2K1HCRTR1HCRTR2OPRM1
SCHEMBL12520972 0.80 TRPM8 (0.37) TRPM8LPAR1LPAR5OPRM1OPRD1
SCHEMBL3578408 0.78 TRPV1 (0.40) RAF1AURKARPS6KB1KDR
SCHEMBL12520875 0.78 TRPM8 (0.40) TRPM8LPAR1LPAR5OPRM1OPRD1
SCHEMBL3580658 0.78 RAF1 (0.39) RAF1MAP2K1HCRTR1HCRTR2KDR
SCHEMBL12521116 0.77 TRPM8 (0.40) TRPM8LPAR1LPAR5
SCHEMBL12521050 0.77 TRPM8 (0.38) RAF1KCNN4TRPM8LPAR1LPAR5
SCHEMBL12521179 0.76 LPAR1 (0.44) TRPM8LPAR1LPAR5

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