SCHEMBL7306190

SCHEMBL7306190

CC(C)(C)OC(=O)NC(=N)N1CCC(CCCN2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 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
SCHEMBL7306785 0.98 GPR119 (0.33) GPR119FAAHDRD2
SCHEMBL7317037 0.95 DRD2 (0.33) DRD2DRD3
SCHEMBL7316507 0.93 FAAH (0.33) GPR119FAAHKDM4EPKMDRD2
SCHEMBL7306733 0.93 GPR119 (0.33) GPR119FAAHDRD2
SCHEMBL7313311 0.92 FAAH (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7313036 0.91 SIGMAR1 (0.35) DRD2
SCHEMBL7307739 0.91 SIGMAR1 (0.35) DRD2
SCHEMBL7306960 0.90 GPR119 (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7307904 0.90 GPR119 (0.34) GPR119
SCHEMBL7310946 0.90 GPR119 (0.33) GPR119FAAHDRD2DRD3

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed