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SCHEMBL7307759

SCHEMBL7307759

COC(=O)CCN1CCN(CC2CN(CCCC3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.33
▸ DRD2 P14416 3/20 0.32
▸ DRD3 P35462 3/20 0.32
▸ GPR119 Q8TDV5 11/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ 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
SCHEMBL7318097 0.98 GPR119 (0.33) FAAHDRD2DRD3GPR119SMN1; SMN2
SCHEMBL7316594 0.96 DRD2 (0.33) FAAHDRD2DRD3GPR119CHRM2
SCHEMBL7310067 0.95 DRD2 (0.33) FAAHDRD2DRD3SMN1; SMN2KDM4E
SCHEMBL7307310 0.94 GPR119 (0.32) FAAHDRD2DRD3GPR119CHRM2
SCHEMBL7306733 0.93 GPR119 (0.33) FAAHDRD2GPR119
SCHEMBL7316507 0.93 FAAH (0.33) FAAHDRD2DRD3GPR119CHRM2
SCHEMBL7316078 0.92 DRD2 (0.33) FAAHDRD2DRD3GPR119CHRM2
SCHEMBL7301524 0.92 SIGMAR1 (0.34) DRD2SMN1; SMN2CHRM2CHRM1KDM4E
SCHEMBL7315701 0.92 SIGMAR1 (0.34) DRD2SMN1; SMN2CHRM2CHRM1KDM4E
SCHEMBL7307904 0.91 GPR119 (0.34) GPR119

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