SCHEMBL3580812

SCHEMBL3580812

CNc1ncc(Cl)cc1C(=O)N(CCn1cnc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.35
CCR9 P51686 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 2/20 0.32
KDM2B Q8NHM5 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 3/20 0.31
CTSB P07858 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM5A P29375 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
SCHEMBL3582314 0.89 CCR9 (0.38) TRPM8CCR9KDM4CLMNAHTT
SCHEMBL3574298 0.81 KDM4E (0.36) TRPM8CCR9LMNAMAPTTDP1
SCHEMBL3584236 0.81 HCRTR1 (0.42)
SCHEMBL3576379 0.80 HSP90AA1 (0.46) CCR9HSP90AA1HDAC3HDAC8HDAC6
SCHEMBL3570653 0.79 CNR1 (0.39) TRPM8LMNATDP1HDAC8HDAC6
SCHEMBL3582723 0.79 HCRTR1 (0.37) TRPM8CCR9MAPTF10
SCHEMBL3576692 0.78 ESRRG (0.37) TRPM8CCR9HSP90AA1F10
SCHEMBL3577915 0.77 F10 (0.38) CCR9F10
SCHEMBL3581175 0.76 ESRRG (0.36) CCR9MAPTHSP90AA1HDAC3HDAC8
SCHEMBL3576392 0.75 HCRTR1 (0.38) TRPM8CCR9LMNAHTTALDH1A1

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