SCHEMBL3246732

SCHEMBL3246732

Cc1[c]ccc(CNc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
PPARA Q07869 2/20 0.41
ADRA2A P08913 1/20 0.41
CACNA1B Q00975 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR1 P34998 1/20 0.37
ERBB2 P04626 1/20 0.37
MTOR P42345 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL3246486 0.84 FFAR1 (0.46) FFAR1PPARAADRA2ACACNA1BFFAR4
SCHEMBL14672469 0.83 AURKA (0.43) PPARACACNA1BMAPT
SCHEMBL3246798 0.78 FFAR1 (0.55) FFAR1PPARAADRA2ACACNA1BFFAR4
SCHEMBL3245006 0.76 RHOC (0.44) FFAR1PPARAFFAR4MAPTCYP3A4
SCHEMBL3240177 0.76 NOS1 (0.41) FFAR1PPARAADRA2ACACNA1BFFAR4
SCHEMBL7345712 0.75 FFAR1 (0.68) FFAR1PPARAADRA2ACACNA1BFFAR4
SCHEMBL30301311 0.74 MAPT (0.61) FFAR1ADRA2ACACNA1BPTGDR2MAPT
SCHEMBL29868285 0.74 MAPT (0.61) FFAR1ADRA2ACACNA1BPTGDR2MAPT
SCHEMBL3247153 0.73 HPGD (0.51) FFAR1PPARAMAPT
SCHEMBL22298750 0.71 KIF11 (0.61) FFAR1PPARAADRA2ACACNA1BPTGDR2

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 6 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 claimed
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 claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP disclosed
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