SCHEMBL22299147

SCHEMBL22299147

CCCCCCCCCC(=O)Nc1ccc(NCCCc2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.50
▸ KCNQ3 O43525 1/20 0.50
▸ KCNQ2 O43526 1/20 0.50
▸ KCNQ4 P56696 1/20 0.50
▸ KCNQ5 Q9NR82 1/20 0.50
▸ HDAC3 O15379 8/20 0.48
▸ HDAC1 Q13547 7/20 0.48
▸ PLK1 P53350 1/20 0.48
▸ NCOR2 Q9Y618 2/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ RORC P51449 3/20 0.44
▸ RORA P35398 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FAAH O00519 1/20 0.42

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
SCHEMBL31576877 1.00 MCHR1 (0.50) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22298789 1.00 MCHR1 (0.50) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31576987 1.00 MCHR1 (0.50) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31576904 1.00 MCHR1 (0.50) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31576933 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22299139 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22299146 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31577174 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22298785 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31577269 0.95 KCNQ3 (0.51) MCHR1KCNQ3KCNQ2KCNQ4KCNQ5

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
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