SCHEMBL22299146

SCHEMBL22299146

CCCCCCCC(=O)Nc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.51
▸ KCNQ2 O43526 1/20 0.51
▸ KCNQ4 P56696 1/20 0.51
▸ KCNQ5 Q9NR82 1/20 0.51
▸ HDAC3 O15379 8/20 0.49
▸ HDAC1 Q13547 7/20 0.49
▸ MCHR1 Q99705 3/20 0.48
▸ RORC P51449 4/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ RORA P35398 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NCOR2 Q9Y618 2/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL22298785 1.00 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL22299139 1.00 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31577269 1.00 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31577174 1.00 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31576933 1.00 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL22298789 0.95 MCHR1 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31576904 0.95 MCHR1 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31576987 0.95 MCHR1 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL22299147 0.95 MCHR1 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3
SCHEMBL31576877 0.95 MCHR1 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 — — WO disclosed
Send feedback