SCHEMBL7290707

SCHEMBL7290707

O=C1OC(CCN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.65
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44
GRM2 Q14416 1/20 0.43

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
SCHEMBL9844330 0.90 OPRL1 (0.54) SIGMAR1OPRM1OPRD1OPRL1GRM2
SCHEMBL7290651 0.88 SIGMAR1 (0.83) SIGMAR1
SCHEMBL7299765 0.88 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9844063 0.88 SIGMAR1 (0.54) SIGMAR1OPRM1OPRD1OPRL1GRM2
SCHEMBL9844060 0.87 OPRM1 (0.53) SIGMAR1OPRM1OPRD1OPRL1GRM2
SCHEMBL9844475 0.87 SIGMAR1 (0.53) SIGMAR1OPRM1OPRD1OPRL1GRM2
SCHEMBL7291646 0.86 SIGMAR1 (0.71) SIGMAR1GRM2
SCHEMBL9844429 0.86 OPRL1 (0.58) SIGMAR1OPRM1OPRD1OPRL1GRM2
SCHEMBL7301444 0.85 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844125 0.85 SIGMAR1 (0.61) SIGMAR1GRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed