SCHEMBL1750468

SCHEMBL1750468

CN(C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.46
MCHR1 Q99705 5/20 0.46
HSD17B10 Q99714 1/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GFER P55789 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL12528340 1.00 KDM4E (0.53) KDM4ELMNANPSR1MCHR1HSD17B10
SCHEMBL1750535 0.98 KDM4E (0.51) KDM4ELMNANPSR1MCHR1HSD17B10
SCHEMBL1750463 0.89 MCHR1 (0.42) KDM4ELMNANPSR1MCHR1ALDH1A1
SCHEMBL12528284 0.89 MCHR1 (0.42) KDM4ELMNANPSR1MCHR1ALDH1A1
SCHEMBL12547560 0.89 MCHR1 (0.42) KDM4ELMNANPSR1MCHR1ALDH1A1
SCHEMBL1750070 0.88 ALDH1A1 (0.42) KDM4ELMNAMCHR1ALDH1A1TSHR
SCHEMBL1749700 0.88 MCHR1 (0.44) KDM4ELMNAMCHR1ALDH1A1HRH3
SCHEMBL1749251 0.88 MCHR1 (0.45) KDM4ELMNAMCHR1HRH3
SCHEMBL2636842 0.88 HRH3 (0.46) MCHR1ALDH1A1HRH3
SCHEMBL2637268 0.88 HRH3 (0.46) MCHR1ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed