SCHEMBL7813769

SCHEMBL7813769

O=C(O)CCOc1ccc(C2=CCN(C(=O)c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NAMPT P43490 3/20 0.45
SIGMAR1 Q99720 2/20 0.44
DRD1 P21728 1/20 0.44
PTGER2 P43116 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
EGLN1 Q9GZT9 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL7817509 0.90 S1PR1 (0.56) S1PR1S1PR3MEN1KMT2ANAMPT
SCHEMBL7813474 0.84 S1PR1 (0.51) S1PR1S1PR3MEN1KMT2ANAMPT
SCHEMBL7813924 0.78 PPARA (0.51) MEN1KMT2ANAMPTSIGMAR1HPGD
SCHEMBL7817803 0.77 MAPT (0.55) MEN1KMT2ADRD1PTGER2HRH4
SCHEMBL7813977 0.77 S1PR1 (0.52) S1PR1S1PR3MEN1KMT2APTGER2
SCHEMBL7809992 0.76 ALDH1A1 (0.52) S1PR1MEN1KMT2ADRD1PTGER2
SCHEMBL4670397 0.75 HRH3 (0.75) MEN1KMT2AHRH3ALDH1A1SMN1; SMN2
SCHEMBL7804410 0.75 CA12 (0.57) MEN1KMT2ADRD1PTGER2HRH4
SCHEMBL1822418 0.74 L3MBTL1 (0.67) MEN1KMT2ANPC1L3MBTL1
SCHEMBL24303917 0.73 NAMPT (0.56) NAMPTSIGMAR1NPC1ALDH1A1SMN1; SMN2

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