SCHEMBL1750463

SCHEMBL1750463

CN(C(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)OCc1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ACACB O00763 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL12528284 1.00 MCHR1 (0.42) MCHR1KDM4ELMNAACACBTMEM97
SCHEMBL12547560 1.00 MCHR1 (0.42) MCHR1KDM4ELMNAACACBTMEM97
SCHEMBL12528340 0.89 KDM4E (0.53) MCHR1KDM4ELMNAHRH3KDM1A
SCHEMBL1750468 0.89 KDM4E (0.53) MCHR1KDM4ELMNAHRH3KDM1A
SCHEMBL1750535 0.89 KDM4E (0.51) MCHR1KDM4ELMNAACACBTMEM97
SCHEMBL2636321 0.89 MCHR1 (0.41) MCHR1KDM4EACACBHRH3ALDH1A1
SCHEMBL1749700 0.84 MCHR1 (0.44) MCHR1KDM4ELMNAACACBHRH3
SCHEMBL1749316 0.84 MCHR1 (0.43) MCHR1KDM4ELMNAACACBHRH3
SCHEMBL1749691 0.84 MCHR1 (0.43) MCHR1KDM4ELMNAACACBHRH3
SCHEMBL1749251 0.83 MCHR1 (0.45) MCHR1KDM4ELMNAACACBPOLB

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