SCHEMBL27600929

SCHEMBL27600929

CCCCCCCCCCCCN(C)C(=O)c1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.52
▸ HDAC6 Q9UBN7 8/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ THRA P10827 4/20 0.47
▸ THRB P10828 4/20 0.47
▸ BDKRB2 P30411 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ LOXL2 Q9Y4K0 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
SCHEMBL11133367 0.89 HDAC6 (0.55) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL24505748 0.84 ALDH1A1 (0.53) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL8391468 0.83 HSD17B3 (0.56) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL11133366 0.83 TP53 (0.53) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL27619398 0.81 HDAC6 (0.49) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL5178440 0.81 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL24673682 0.81 L3MBTL1 (0.49) CNR2HDAC6HDAC3HDAC4HDAC1
SCHEMBL7517981 0.81 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL24607683 0.81 ALDH1A1 (0.51) CNR2HDAC6HDAC3HDAC1HDAC2
SCHEMBL3709914 0.80 LOXL2 (0.50) HDAC6HDAC3HDAC4HDAC1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 — — CN claimed
CN-1933827-A Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS (AN) 2007-03-21 — — CN claimed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 — — CN claimed
CN-1933827-B Use of methylene amide derivatives in preparing medicine for treating and/ or preventing heart failure SERONO LAB 2011-07-27 — — CN disclosed
CN-1933827-A Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS (AN) 2007-03-21 — — CN disclosed
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