SCHEMBL20433105

SCHEMBL20433105

CC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)NCc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.57
▸ HDAC6 Q9UBN7 7/20 0.57
▸ MAPT P10636 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ HDAC4 P56524 3/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HDAC8 Q9BY41 4/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ CACNA1G O43497 2/20 0.46
▸ CACNA1H O95180 2/20 0.46
▸ CACNA1I Q9P0X4 2/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HDAC3 O15379 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL17078865 1.00 HDAC1 (0.57) HDAC1HDAC6MAPTNAMPTCHRM4
SCHEMBL20421035 0.90 CACNA1G (0.49) HDAC1HDAC6MAPTNAMPTCHRM4
SCHEMBL17078605 0.88 CACNA1G (0.46) HDAC1HDAC6MAPTNAMPTCHRM4
SCHEMBL17078771 0.88 HDAC1 (0.58) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL17078964 0.86 HDAC1 (0.59) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18690252 0.85 HDAC6 (0.78) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL17078803 0.85 HDAC6 (0.78) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL20432843 0.85 HDAC6 (0.78) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL17078523 0.84 HDAC1 (0.57) HDAC1HDAC6MAPTNAMPTHDAC4
SCHEMBL20420932 0.78 CACNA1G (0.56) CACNA1GCACNA1HCACNA1I

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
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
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