SCHEMBL27729318

SCHEMBL27729318

CN(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c(NC(=O)CC2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.42
NAMPT P43490 1/20 0.42
KCNJ11 Q14654 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 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
SCHEMBL3106833 0.78 RAB9A (0.44) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL30795357 0.78 RAB9A (0.44) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL3609248 0.77 KCNJ11 (0.46) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL28774176 0.75 CSNK1D (0.43) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL3600618 0.73 KCNJ11 (0.43) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL3101973 0.72 CCR1 (0.45) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL19181787 0.71 KCNJ11 (0.47) CSNK1DNAMPTKCNJ11NPC1RAB9A
SCHEMBL2438530 0.70 L3MBTL1 (0.48) NAMPTKCNJ11EPHX2LMNAMAPT
SCHEMBL30795419 0.70 L3MBTL1 (0.48) NAMPTKCNJ11EPHX2LMNAMAPT
SCHEMBL3104820 0.68 RAB9A (0.50) CSNK1DNAMPTKCNJ11NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101378742-A Use of KCNQ-openers for treating or alleviating the symptoms of schizophrenia LUNDBECK & CO AS H (DK) 2009-03-04 CN disclosed