SCHEMBL9844429

SCHEMBL9844429

O=C1OC(CCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CN1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.58
OPRM1 P35372 5/20 0.58
OPRD1 P41143 1/20 0.58
SIGMAR1 Q99720 7/20 0.55
GRM2 Q14416 2/20 0.54
DRD4 P21917 1/20 0.52
OPRK1 P41145 1/20 0.49
ABCB11 O95342 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
EBP Q15125 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.95 OPRL1 (0.54) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9844060 0.94 OPRM1 (0.53) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9844252 0.93 SIGMAR1 (0.56) OPRL1OPRM1OPRD1SIGMAR1OPRK1
SCHEMBL9844110 0.92 SIGMAR1 (0.56) OPRL1OPRM1OPRD1SIGMAR1OPRK1
SCHEMBL9844297 0.91 MAOA (0.51) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9677816 0.91 SIGMAR1 (0.67) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9844269 0.90 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9844284 0.90 SIGMAR1 (0.54) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9844063 0.88 SIGMAR1 (0.54) OPRL1OPRM1OPRD1SIGMAR1GRM2
SCHEMBL9844032 0.87 SIGMAR1 (0.65) OPRL1SIGMAR1GRM2

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