SCHEMBL7811667

SCHEMBL7811667

O=C(O)C(COc1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
KCNA5 P22460 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MGLL Q99685 1/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 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
SCHEMBL7804380 0.92 KCNA5 (0.52) KMT2ANPC1L3MBTL1L3MBTL3HPGD
SCHEMBL7804403 0.85 DRD4 (0.56) KMT2ANPC1L3MBTL1L3MBTL3HPGD
SCHEMBL7804419 0.79 NPC1 (0.51) KMT2ANPC1HPGDKCNA5ALDH1A1
SCHEMBL23268667 0.78 ACHE (0.55) KMT2AL3MBTL1L3MBTL3HPGDALDH1A1
SCHEMBL7804443 0.78 MEN1 (0.52) KMT2AHTTALDH1A1LMNATP53
SCHEMBL7813958 0.77 MME (0.47) KMT2ANPC1HPGDKCNA5CYP3A4
SCHEMBL7811501 0.77 KMT2A (0.47) KMT2ANPC1L3MBTL1L3MBTL3HPGD
SCHEMBL10871010 0.75 ACHE (0.60) KMT2AL3MBTL1L3MBTL3HPGDALDH1A1
SCHEMBL7804396 0.75 NPC1 (0.54) KMT2ANPC1HPGDKCNA5LMNA
SCHEMBL7811215 0.73 NPC1 (0.42) KMT2ANPC1L3MBTL1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed