SCHEMBL9677256

SCHEMBL9677256

O=C1OC(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.60
OPRL1 P41146 3/20 0.57
OPRM1 P35372 2/20 0.57
OPRK1 P41145 1/20 0.57
OPRD1 P41143 1/20 0.51

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
SCHEMBL9677816 0.95 SIGMAR1 (0.67) SIGMAR1OPRL1OPRM1OPRK1OPRD1
SCHEMBL9676995 0.95 SIGMAR1 (0.64) SIGMAR1OPRL1OPRM1OPRK1OPRD1
SCHEMBL9676109 0.94 SIGMAR1 (0.56) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9678352 0.92 SIGMAR1 (0.65) SIGMAR1
SCHEMBL9676251 0.92 SIGMAR1 (0.65) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9677190 0.92 SIGMAR1 (0.68) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9679004 0.91 SIGMAR1 (0.64) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9678835 0.91 SIGMAR1 (0.67) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9844330 0.91 OPRL1 (0.54) SIGMAR1OPRL1OPRM1OPRK1OPRD1
SCHEMBL9677766 0.89 SIGMAR1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300272-B1 OXAZOLIDINONES MERCK PATENT GmbH (DE) 1992-09-16 EP disclosed
US-4970217-A NEUROLEPTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 US disclosed
EP-0300272-A1 Oxazolidinones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed