SCHEMBL7809999

SCHEMBL7809999

O=C(O)COc1cccc(C2CCN(C(=O)c3cccnc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
CCR5 P51681 1/20 0.52
GAA P10253 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGDS O60760 1/20 0.48
RIPK1 Q13546 1/20 0.48
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
SCD O00767 1/20 0.46

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
SCHEMBL9011061 0.82 CCR5 (0.54) CYP2C9CCR5GAAALDH1A1HTT
SCHEMBL7813405 0.82 ALDH1A1 (0.72) CYP2C9CYP3A4CYP2C19ITGB3ITGA2B
SCHEMBL7814105 0.82 BCL9 (0.54) CYP2C9CCR5GAAALDH1A1HTT
SCHEMBL7817601 0.81 NPC1 (0.54) PARP14PARP10HRH1CCR3NPC1
SCHEMBL27299337 0.81 CCR5 (0.68) CCR5GAAALDH1A1HTTHPGDS
SCHEMBL7810116 0.79 LMNA (0.63) CYP2C9CYP3A4CYP2C19ITGB3ITGA2B
SCHEMBL7813988 0.78 L3MBTL1 (0.58) CCR5GAAALDH1A1EGLN1NPC1
SCHEMBL7811526 0.78 PARP10 (0.53) CCR5ALDH1A1KDM4EPARP14PARP10
SCHEMBL7811507 0.77 CCR3 (0.47) CYP2C9PARP14PARP10CCR3NPC1
SCHEMBL7814284 0.77 ALDH1A1 (0.57) CCR5ALDH1A1HTTPKMNPC1

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