SCHEMBL31576864

SCHEMBL31576864

O=C(CCC1CCCCC1)Nc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MCHR1 Q99705 4/20 0.47
KCNQ2 O43526 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
DNMT1 P26358 1/20 0.44
CASP6 P55212 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL22299219 1.00 MAPT (0.47) MAPTMCHR1KCNQ2L3MBTL1DNMT1
SCHEMBL31576948 0.87 MCHR1 (0.45) MAPTMCHR1KCNQ2SMN1; SMN2ALDH1A1
SCHEMBL22299432 0.87 MCHR1 (0.45) MAPTMCHR1KCNQ2SMN1; SMN2ALDH1A1
SCHEMBL31576958 0.87 MCHR1 (0.45) MAPTMCHR1KCNQ2SMN1; SMN2ALDH1A1
SCHEMBL22299362 0.86 AAK1 (0.51) MCHR1KCNQ2L3MBTL1TDP1SMN1; SMN2
SCHEMBL22299447 0.83 MAPT (0.52) MAPTMCHR1KCNQ2L3MBTL1DNMT1
SCHEMBL22299159 0.83 MAPT (0.52) MAPTMCHR1KCNQ2L3MBTL1DNMT1
SCHEMBL31576865 0.83 NPC1 (0.46) MCHR1KCNQ2L3MBTL1TDP1SMN1; SMN2
SCHEMBL22299445 0.83 NPC1 (0.46) MCHR1KCNQ2L3MBTL1TDP1SMN1; SMN2
SCHEMBL22299449 0.81 MCHR1 (0.44) MAPTMCHR1KCNQ2L3MBTL1DNMT1

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-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