SCHEMBL4014963

SCHEMBL4014963

CCOC(=O)O[C@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SOAT1 P35610 1/20 0.40
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
PRCP P42785 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2330898 1.00 ALDH1A1 (0.43) ALDH1A1SOAT1SLC6A2SLC6A3SLC6A4
SCHEMBL2567582 0.95 SLC6A2 (0.43) ALDH1A1SOAT1SLC6A2SLC6A3SLC6A4
SCHEMBL9054793 0.95 SLC6A2 (0.43) ALDH1A1SOAT1SLC6A2SLC6A3SLC6A4
SCHEMBL27508951 0.82 MEN1 (0.40) PRCPMEN1BLMKMT2ALMNA
SCHEMBL9568980 0.80 ALDH1A1 (0.38) ALDH1A1SOAT1SLC6A2SLC6A3SLC6A4
SCHEMBL9574625 0.80 ALDH1A1 (0.38) ALDH1A1SOAT1SLC6A2SLC6A3SLC6A4
SCHEMBL21004936 0.79 ALDH1A1 (0.40) ALDH1A1SOAT1THRBLMNAHSD17B10
SCHEMBL6223489 0.79 SLC6A3 (0.36) ALDH1A1SLC6A2SLC6A3SLC6A4MEN1
SCHEMBL2330804 0.79 SLC6A3 (0.36) ALDH1A1SLC6A2SLC6A3SLC6A4MEN1
SCHEMBL10694887 0.77 ALDH1A1 (0.39) ALDH1A1SOAT1THRBATML3MBTL1

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 5 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 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
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 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
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed