SCHEMBL7306733

SCHEMBL7306733

COC(=O)CN1CCN(CC2CN(CCCC3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
FAAH O00519 1/20 0.32
DRD2 P14416 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
SCHEMBL7307904 0.98 GPR119 (0.34) GPR119ITGB3ITGA2B
SCHEMBL7316825 0.95 ITGB3 (0.34) ITGB3ITGA2BDRD2
SCHEMBL7307759 0.93 FAAH (0.33) GPR119FAAHDRD2
SCHEMBL7306190 0.93 GPR119 (0.32) GPR119FAAHDRD2
SCHEMBL7316594 0.92 DRD2 (0.33) GPR119FAAHDRD2
SCHEMBL7305537 0.91 ITGB3 (0.34) ITGB3ITGA2BDRD2
SCHEMBL7309062 0.91 ITGB3 (0.34) ITGB3ITGA2BDRD2
SCHEMBL7318097 0.91 GPR119 (0.33) GPR119FAAHDRD2
SCHEMBL7306785 0.90 GPR119 (0.33) GPR119FAAHDRD2
SCHEMBL7307310 0.90 GPR119 (0.32) GPR119FAAHDRD2

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