SCHEMBL4608058

SCHEMBL4608058

CNC(=O)c1ccc(C(=O)N2CC3CCC(C)(C2)C3(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL3 Q96JM7 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
IP6K1 Q92551 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC9A1 P19634 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34
S1PR2 O95136 1/20 0.34
PLK1 P53350 3/20 0.34

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
SCHEMBL4608059 0.84 NAMPT (0.36) SIGMAR1ALDH1A1HPGD
SCHEMBL3813465 0.81 HDAC1 (0.46) HDAC2HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL3811254 0.75 ALDH1A1 (0.36) L3MBTL3SMN1; SMN2ALDH1A1HPGD
SCHEMBL3812022 0.74 HDAC1 (0.46) HDAC6ALDH1A1HPGDTSHR
SCHEMBL12576932 0.74 HRH3 (0.37) HDAC8HDAC6SMN1; SMN2ALDH1A1HPGD
SCHEMBL3814369 0.73 HRH3 (0.39) L3MBTL3SIGMAR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5499445 0.72 SIGMAR1 (0.47) SIGMAR1
SCHEMBL3811818 0.72 AOC3 (0.40) L3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3811439 0.72 LMNA (0.37) ALDH1A1HPGD
SCHEMBL3811384 0.71 CCR5 (0.40) SMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948190-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2008-07-30 EP disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed