SCHEMBL7310946

SCHEMBL7310946

CC(C)(C)OC(=O)NC(=N)N1CCC(CCCCN2CC(CN3CCN(CCCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
FAAH O00519 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
S1PR5 Q9H228 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 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
SCHEMBL7313311 0.98 FAAH (0.33) GPR119SIGMAR1FAAHDRD2DRD3
SCHEMBL7306960 0.96 GPR119 (0.33) GPR119SIGMAR1FAAHDRD2DRD3
SCHEMBL7310892 0.95 DRD2 (0.33) GPR119SIGMAR1FAAHDRD2DRD3
SCHEMBL7316507 0.94 FAAH (0.33) GPR119SIGMAR1FAAHDRD2DRD3
SCHEMBL7314220 0.94 SIGMAR1 (0.36) SIGMAR1DRD2CHRM2CHRM1
SCHEMBL7307310 0.93 GPR119 (0.32) GPR119SIGMAR1FAAHDRD2DRD3
SCHEMBL7306785 0.92 GPR119 (0.33) GPR119FAAHDRD2
SCHEMBL7309308 0.92 SIGMAR1 (0.36) SIGMAR1DRD2CHRM2CHRM1
SCHEMBL7318097 0.91 GPR119 (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7316594 0.91 DRD2 (0.33) GPR119SIGMAR1FAAHDRD2DRD3

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