SCHEMBL7315701

SCHEMBL7315701

COC(=O)CCN1CCN(CC2CN(CCCN3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.34
DRD2 P14416 4/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
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
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL7301524 0.98 SIGMAR1 (0.34) SIGMAR1DRD2HRH2HRH1SMN1; SMN2
SCHEMBL7314509 0.97 SIGMAR1 (0.34) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7309796 0.95 SIGMAR1 (0.34) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7304829 0.95 SMN1; SMN2 (0.32) SIGMAR1SMN1; SMN2KDM4EALDH1A1ITGB3
SCHEMBL7314629 0.93 SIGMAR1 (0.34) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7305537 0.93 ITGB3 (0.34) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7309520 0.92 SIGMAR1 (0.36) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7307759 0.92 FAAH (0.33) DRD2SMN1; SMN2CHRM2CHRM1KDM4E
SCHEMBL7309062 0.92 ITGB3 (0.34) SIGMAR1DRD2HRH2HRH1CHRM2
SCHEMBL7318097 0.91 GPR119 (0.33) DRD2SMN1; SMN2KDM4EALDH1A1

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