SCHEMBL7318097

SCHEMBL7318097

COC(=O)CCN1CCN(CC2CN(CCCCC3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.33
FAAH O00519 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7307759 0.98 FAAH (0.33) GPR119FAAHDRD2DRD3SMN1; SMN2
SCHEMBL7307310 0.96 GPR119 (0.32) GPR119FAAHDRD2DRD3NAAA
SCHEMBL7310067 0.94 DRD2 (0.33) FAAHDRD2DRD3SMN1; SMN2KDM4E
SCHEMBL7316594 0.94 DRD2 (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7306960 0.93 GPR119 (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7307904 0.93 GPR119 (0.34) GPR119
SCHEMBL7301524 0.93 SIGMAR1 (0.34) DRD2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7316078 0.91 DRD2 (0.33) GPR119FAAHDRD2DRD3
SCHEMBL7315701 0.91 SIGMAR1 (0.34) DRD2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7310946 0.91 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