SCHEMBL31576865

SCHEMBL31576865

O=C(CCC1CCCCC1)Nc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PARP1 P09874 1/20 0.43
LDLR P01130 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
SCHEMBL22299445 1.00 NPC1 (0.46) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22299362 0.86 AAK1 (0.51) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22299458 0.86 LDLR (0.46) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31577055 0.86 LDLR (0.46) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22298791 0.86 KCNQ3 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2KCNQ3
SCHEMBL22298793 0.86 KCNQ3 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2KCNQ3
SCHEMBL22299446 0.85 KCNQ3 (0.48) NPC1RAB9AHPGDKCNQ3KCNQ2
SCHEMBL22299219 0.83 MAPT (0.47) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31576864 0.83 MAPT (0.47) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22298801 0.82 MCHR1 (0.39) NPC1RAB9AMCHR1

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