SCHEMBL9844110

SCHEMBL9844110

O=C1OC(CCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.56
OPRL1 P41146 6/20 0.51
OPRM1 P35372 5/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
EBP Q15125 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9844252 0.92 SIGMAR1 (0.56) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844429 0.92 OPRL1 (0.58) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844475 0.91 SIGMAR1 (0.53) SIGMAR1OPRL1OPRM1OPRD1
SCHEMBL9678835 0.91 SIGMAR1 (0.67) SIGMAR1OPRL1OPRM1OPRK1
SCHEMBL9844330 0.91 OPRL1 (0.54) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844269 0.89 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9844297 0.87 MAOA (0.51) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844060 0.87 OPRM1 (0.53) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844264 0.86 SIGMAR1 (0.63) SIGMAR1OPRL1OPRM1
SCHEMBL9844178 0.86 SIGMAR1 (0.58) SIGMAR1OPRL1OPRM1OPRD1

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