SCHEMBL31576842

SCHEMBL31576842

CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 3/20 0.58
KCNQ3 O43525 2/20 0.58
MAPT P10636 3/20 0.50
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
SERPINE1 P05121 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MCHR1 Q99705 4/20 0.42
FFAR1 O14842 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL22288483 0.99 KCNQ2 (0.57) KCNQ2KCNQ3MAPTKCNQ4KCNQ5
SCHEMBL31576974 0.85 KCNQ2 (0.49) KCNQ2KCNQ3MAPTKCNQ4KCNQ5
SCHEMBL31577143 0.85 KCNQ2 (0.49) KCNQ2KCNQ3MAPTKCNQ4KCNQ5
SCHEMBL22299350 0.84 KCNQ2 (0.49) KCNQ2KCNQ3MAPTKCNQ4KCNQ5
SCHEMBL22299349 0.84 KCNQ2 (0.49) KCNQ2KCNQ3MAPTKCNQ4KCNQ5
SCHEMBL22288442 0.83 KCNQ2 (0.68) KCNQ2KCNQ3KCNQ4KCNQ5HTT
SCHEMBL31577178 0.83 KCNQ2 (0.68) KCNQ2KCNQ3KCNQ4KCNQ5HTT
SCHEMBL22299432 0.83 MCHR1 (0.45) KCNQ2MAPTSMN1; SMN2NPSR1CYP1A2
SCHEMBL31576958 0.83 MCHR1 (0.45) KCNQ2MAPTSMN1; SMN2NPSR1CYP1A2
SCHEMBL31576948 0.83 MCHR1 (0.45) KCNQ2MAPTSMN1; SMN2NPSR1CYP1A2

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