SCHEMBL9844284

SCHEMBL9844284

COc1cccc(N2CC(CCN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.54
GRM2 Q14416 2/20 0.51
OPRM1 P35372 3/20 0.50
OPRL1 P41146 2/20 0.50
ALDH1A1 P00352 1/20 0.49
OPRD1 P41143 1/20 0.49

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
SCHEMBL9844269 0.93 SIGMAR1 (0.63) SIGMAR1ALDH1A1
SCHEMBL9844330 0.92 OPRL1 (0.54) SIGMAR1GRM2OPRM1OPRL1OPRD1
SCHEMBL9844125 0.92 SIGMAR1 (0.61) SIGMAR1GRM2
SCHEMBL9678352 0.92 SIGMAR1 (0.65) SIGMAR1
SCHEMBL9844178 0.90 SIGMAR1 (0.58) SIGMAR1OPRM1OPRL1ALDH1A1OPRD1
SCHEMBL9844297 0.90 MAOA (0.51) SIGMAR1GRM2OPRM1OPRL1OPRD1
SCHEMBL9844429 0.90 OPRL1 (0.58) SIGMAR1GRM2OPRM1OPRL1OPRD1
SCHEMBL9844085 0.89 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9844495 0.89 SIGMAR1 (0.61) SIGMAR1ALDH1A1
SCHEMBL9844060 0.88 OPRM1 (0.53) SIGMAR1GRM2OPRM1OPRL1OPRD1

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