SCHEMBL22299254

SCHEMBL22299254

Nc1ccc(CCCCCCC(=O)Nc2ccc(NCc3ccc(C(F)(F)F)cc3)cc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.49
▸ HDAC1 Q13547 10/20 0.46
▸ HDAC3 O15379 7/20 0.46
▸ KCNQ3 O43525 2/20 0.45
▸ KCNQ2 O43526 2/20 0.45
▸ KCNQ4 P56696 1/20 0.45
▸ KCNQ5 Q9NR82 1/20 0.45
▸ MCHR1 Q99705 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NCOR2 Q9Y618 3/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ PTGS1 P23219 2/20 0.40

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
SCHEMBL31577032 1.00 FFAR1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL22298797 0.93 KCNQ3 (0.53) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL31577044 0.93 KCNQ3 (0.53) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL31576841 0.93 FFAR1 (0.51) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL22298799 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL22299249 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL31577186 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL31577003 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL22299261 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2
SCHEMBL31577122 0.90 HDAC1 (0.49) FFAR1HDAC1HDAC3KCNQ3KCNQ2

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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