SCHEMBL3584052

SCHEMBL3584052

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
CNR1 P21554 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
SLC6A9 P48067 4/20 0.36
KCNH2 Q12809 2/20 0.36
ATM Q13315 1/20 0.36
RAF1 P04049 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC2A1 P11166 1/20 0.36
CTSA P10619 1/20 0.35
HTR5A P47898 1/20 0.35
CETP P11597 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3583406 0.91 CNR1 (0.41) PTGER4CNR1LPAR1LPAR5KDM5A
SCHEMBL3582130 0.90 CNR1 (0.40) PTGER4CNR1TRPM8LPAR1LPAR5
SCHEMBL3582301 0.88 NAMPT (0.40) PTGER4CNR1TRPM8ATMSLC2A1
SCHEMBL3576340 0.86 CNR1 (0.42) PTGER4CNR1TRPM8LPAR1LPAR5
SCHEMBL3577569 0.84 C5AR1 (0.42) PTGER4LPAR1LPAR5CYP3A4
SCHEMBL3573512 0.83 HDAC1 (0.36) KCNH2SLC2A1CYP3A4
SCHEMBL3571746 0.82 SLC2A1 (0.41) CNR1LPAR1LPAR5SLC2A1HTR5A
SCHEMBL3570789 0.81 CNR1 (0.39) CNR1ATMSLC2A1CYP3A4CYP2D6
SCHEMBL3575233 0.81 SLC2A1 (0.42) CNR1LPAR1LPAR5ATMALDH1A1
SCHEMBL3570653 0.79 CNR1 (0.39) CNR1TRPM8ATMSLC2A1CETP

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