SCHEMBL3247396

SCHEMBL3247396

Cc1cc(CNc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.56
MTOR P42345 3/20 0.50
PPARA Q07869 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR1 P34998 1/20 0.43
NPC1 O15118 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
TRPA1 O75762 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL3596698 0.90 PPARA (0.55) FFAR1MTORPPARAPTGDR2CRHR1
SCHEMBL3099468 0.86 KCNQ2 (0.55) FFAR1MTORPPARAPTGDR2MEN1
SCHEMBL3609796 0.84 P4HTM (0.50) FFAR1PPARARAB9AMAPTNPC1
SCHEMBL3102103 0.83 KCNQ2 (0.48) FFAR1MTORPPARAPTGDR2HTT
SCHEMBL3106591 0.82 FFAR1 (0.46) FFAR1MTORPPARAPTGDR2FFAR4
SCHEMBL3104820 0.82 RAB9A (0.50) FFAR1MTORPPARAEPHX2RAB9A
SCHEMBL3605553 0.81 FFAR1 (0.52) FFAR1PPARAPTGDR2RAB9AMEN1
SCHEMBL3099035 0.81 PPARA (0.51) FFAR1MTORPPARAPTGDR2CRHR1
SCHEMBL3591356 0.79 HIF1A (0.59) FFAR1HTTLMNARAB9AMEN1
SCHEMBL19690431 0.77 FFAR1 (0.58) FFAR1MTORPPARAPTGDR2FFAR4

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
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO disclosed