SCHEMBL9844323

SCHEMBL9844323

O=C1OC(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)CN1c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.64
DRD2 P14416 11/20 0.56
DRD3 P35462 5/20 0.53
LMNA P02545 1/20 0.53
HTR1A P08908 3/20 0.52
DRD1 P21728 3/20 0.52
DRD5 P21918 3/20 0.52
SLC6A2 P23975 3/20 0.52
HTR2A P28223 3/20 0.52
SLC6A4 P31645 3/20 0.52
HTR7 P34969 3/20 0.52
HRH1 P35367 3/20 0.52
HTR2B P41595 3/20 0.52
MEN1 O00255 1/20 0.52
CACNA1F O60840 1/20 0.52
KCNK2 O95069 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52

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
SCHEMBL9844417 1.00 SIGMAR1 (0.64) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL9844040 0.95 SIGMAR1 (0.69) SIGMAR1
SCHEMBL9844272 0.95 SIGMAR1 (0.69) SIGMAR1
SCHEMBL9844231 0.90 SIGMAR1 (0.63) SIGMAR1DRD2OPRM1
SCHEMBL9844106 0.90 SIGMAR1 (0.63) SIGMAR1DRD2
SCHEMBL9844261 0.90 SIGMAR1 (0.63) SIGMAR1DRD2
SCHEMBL9677462 0.90 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9844264 0.90 SIGMAR1 (0.63) SIGMAR1DRD2OPRM1
SCHEMBL9676228 0.90 SIGMAR1 (0.77) SIGMAR1
SCHEMBL9844376 0.88 SIGMAR1 (0.83) SIGMAR1

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-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed