SCHEMBL22299362

SCHEMBL22299362

Nc1cc(CCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.51
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LDLR P01130 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PARP1 P09874 1/20 0.44
MCHR1 Q99705 2/20 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
SCHEMBL22299445 0.86 NPC1 (0.46) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL31576865 0.86 NPC1 (0.46) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL22299219 0.86 MAPT (0.47) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL31576995 0.86 AAK1 (0.47) AAK1ALDH1A1NPC1HPGDRAB9A
SCHEMBL31576864 0.86 MAPT (0.47) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL22288564 0.86 AAK1 (0.47) AAK1ALDH1A1NPC1HPGDRAB9A
SCHEMBL31577159 0.80 RORC (0.49) AAK1NPC1RAB9ATDP1MEN1
SCHEMBL31577151 0.78 KCNQ2 (0.65) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL22298751 0.78 KCNQ2 (0.65) ALDH1A1NPC1HPGDRAB9ANFKB1
SCHEMBL31577177 0.78 HDAC3 (0.51) MCHR1KCNQ3KCNQ2NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP claimed
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed