SCHEMBL4011312

SCHEMBL4011312

CCOC(=O)OC1CCN(CCOc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3Cl)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40

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
SCHEMBL4010364 0.90 EPHX2 (0.43) LMNANPC1MAPTTSHRHSD17B10
SCHEMBL4011462 0.89 LMNA (0.59) LMNAKDM4EMAPTHSD17B10POLB
SCHEMBL4008233 0.89 MRGPRX4 (0.51) LMNAKDM4EMAPTTSHRHSD17B10
SCHEMBL4004896 0.86 LMNA (0.40) LMNAKDM4ENPC1MAPTTSHR
SCHEMBL4006855 0.86 HTR2A (0.47) LMNAMAPTTSHRHSD17B10EPHX2
SCHEMBL4010360 0.84 SMN1; SMN2 (0.46) LMNAKDM4EMAPTTSHRHSD17B10
SCHEMBL4006678 0.84 ACHE (0.55) LMNAMAPTTSHRHSD17B10RAB9A
SCHEMBL4008085 0.83 ACHE (0.56) KDM4EMAPTTSHRHSD17B10POLB
SCHEMBL4008026 0.83 MEN1 (0.44) LMNANPC1MAPTTSHRHSD17B10
SCHEMBL14209869 0.82 ALDH1A1 (0.49) LMNAKDM4ENPC1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP claimed
JP-2006504761-A 2006-02-09 JP claimed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO claimed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed