SCHEMBL7309520

SCHEMBL7309520

CC(C)(C)OC(=O)NC(=N)N1CCN(CCCN2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
HRH2 P25021 6/20 0.32
HRH1 P35367 6/20 0.32
HTR2B P41595 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 2/20 0.30
ACKR3 P25106 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
SCHEMBL7315494 0.98 SIGMAR1 (0.36) SIGMAR1HRH2HRH1HTR2BMAPK1
SCHEMBL7309308 0.97 SIGMAR1 (0.36) SIGMAR1HRH2HRH1HTR2BMAPK1
SCHEMBL7314220 0.95 SIGMAR1 (0.36) SIGMAR1HRH2HRH1HTR2BMAPK1
SCHEMBL7308728 0.95 SIGMAR1 (0.34) SIGMAR1HTR2B
SCHEMBL7307739 0.93 SIGMAR1 (0.35) SIGMAR1HRH2HRH1HTR2BMAPK1
SCHEMBL7307508 0.93 SIGMAR1 (0.36) SIGMAR1HRH2HRH1HTR2BCHRM2
SCHEMBL7315701 0.92 SIGMAR1 (0.34) SIGMAR1HRH2HRH1CHRM2CHRM1
SCHEMBL7316507 0.92 FAAH (0.33) SIGMAR1CHRM2CHRM1DRD2
SCHEMBL7313036 0.91 SIGMAR1 (0.35) SIGMAR1HRH2HRH1HTR2BMAPK1
SCHEMBL7306960 0.91 GPR119 (0.33) SIGMAR1DRD2

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