SCHEMBL22288564

SCHEMBL22288564

Nc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
LDLR P01130 5/20 0.47
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
KCNQ4 P56696 2/20 0.45
KCNQ5 Q9NR82 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 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
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
PARP1 P09874 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
SCHEMBL31576995 1.00 AAK1 (0.47) AAK1LDLRKCNQ3KCNQ2KCNQ4
SCHEMBL31577159 0.94 RORC (0.49) AAK1LDLRKCNQ3KCNQ2KCNQ4
SCHEMBL22299458 0.87 LDLR (0.46) LDLRKCNQ3KCNQ2ALDH1A1NPC1
SCHEMBL31577055 0.87 LDLR (0.46) LDLRKCNQ3KCNQ2ALDH1A1NPC1
SCHEMBL22299436 0.87 LDLR (0.50) LDLRALDH1A1NPC1HPGDNFKB1
SCHEMBL22299432 0.87 MCHR1 (0.45) LDLRKCNQ2ALDH1A1NPC1HPGD
SCHEMBL31576948 0.87 MCHR1 (0.45) LDLRKCNQ2ALDH1A1NPC1HPGD
SCHEMBL31576958 0.87 MCHR1 (0.45) LDLRKCNQ2ALDH1A1NPC1HPGD
SCHEMBL22299362 0.86 AAK1 (0.51) AAK1LDLRKCNQ3KCNQ2ALDH1A1
SCHEMBL22299431 0.84 LDLR (0.45) LDLRALDH1A1NPC1HPGDNFKB1

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-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Universitá Degli Studi Di Salerno (IT) 2021-12-08 EP disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed