SCHEMBL7310892

SCHEMBL7310892

CC(C)(C)OC(=O)NC(=N)N1CCC(CCN2CC(CN3CCN(CCCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
SIGMAR1 Q99720 3/20 0.33
DRD3 P35462 2/20 0.33
FAAH O00519 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
HTR2B P41595 1/20 0.30
GPR119 Q8TDV5 2/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
MAOA P21397 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
SCHEMBL7313311 0.96 FAAH (0.33) DRD2SIGMAR1DRD3FAAHCHRM2
SCHEMBL7310946 0.95 GPR119 (0.33) DRD2SIGMAR1DRD3FAAHCHRM2
SCHEMBL7316461 0.95 DRD2 (0.34) DRD2SIGMAR1DRD3FAAHHTR2B
SCHEMBL7316078 0.93 DRD2 (0.33) DRD2SIGMAR1DRD3FAAHCHRM2
SCHEMBL7316507 0.92 FAAH (0.33) DRD2SIGMAR1DRD3FAAHCHRM2
SCHEMBL7307508 0.92 SIGMAR1 (0.36) DRD2SIGMAR1CHRM2CHRM1HTR2B
SCHEMBL7309308 0.92 SIGMAR1 (0.36) DRD2SIGMAR1CHRM2CHRM1HTR2B
SCHEMBL7314220 0.92 SIGMAR1 (0.36) DRD2SIGMAR1CHRM2CHRM1HTR2B
SCHEMBL7306960 0.91 GPR119 (0.33) DRD2SIGMAR1DRD3FAAHGPR119
SCHEMBL7317037 0.91 DRD2 (0.33) DRD2DRD3ITGB3ITGA2BHTR2B

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