SCHEMBL1728604

SCHEMBL1728604

CC(=O)N1CCN(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.59
KCNA5 P22460 8/20 0.53
DRD2 P14416 1/20 0.53
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
KDM1A O60341 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PKM P14618 1/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL1728674 0.87 ALDH1A1 (0.60) DRD3KCNA5DRD2LTA4HALDH1A1
SCHEMBL6083117 0.84 DRD2 (0.59) DRD3DRD2LTA4HSIGMAR1KCNH2
SCHEMBL6081563 0.84 LTA4H (0.55) LTA4HKCNH2MCHR1
SCHEMBL1728694 0.83 KDM4E (0.56) LTA4HALDH1A1KDM4EKMT2ASIGMAR1
SCHEMBL1728503 0.83 LTA4H (0.54) LTA4HKDM4ESIGMAR1KCNH2MCHR1
SCHEMBL1729209 0.82 DRD3 (0.56) DRD3DRD2CYP4F2CYP4A11KDM1A
SCHEMBL1728438 0.82 LTA4H (0.56) LTA4HKCNH2MCHR1
SCHEMBL6081977 0.80 LTA4H (0.56) DRD3DRD2LTA4HALDH1A1MEN1
SCHEMBL1728741 0.80 LTA4H (0.51) DRD2LTA4HKCNH2MCHR1
SCHEMBL6081709 0.80 TMEM97 (0.69) LTA4HALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed