SCHEMBL6168147

SCHEMBL6168147

O=C(O)N1CCC(CO)(C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
ATM Q13315 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HSD11B1 P28845 3/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL5887760 0.77 EPHX1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL5197498 0.76 KDM4E (0.34) ALDH1A1ATMOPRM1OPRL1MEN1
SCHEMBL3091643 0.75 ALDH1A1 (0.35) ALDH1A1TSHRATMOPRM1OPRL1
SCHEMBL11863846 0.75 TSHR (0.34) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL5194049 0.73 MC4R (0.60) ALDH1A1MC4RMC3RMC1RMEN1
Water SCHEMBL28019795 0.73 TSHR (0.37) TSHR
SCHEMBL7735127 0.72 TSHR (0.35) ALDH1A1TSHR
SCHEMBL5473307 0.72 TSHR (0.35) ALDH1A1TSHR
SCHEMBL1310115 0.72 CYP3A4 (0.37) ALDH1A1TSHRMC4RMC3RMC1R
SCHEMBL31382688 0.70

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
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed