SCHEMBL9844328

SCHEMBL9844328

COc1ccccc1N1CC(CCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.51
OPRM1 P35372 5/20 0.51
OPRD1 P41143 1/20 0.50
SIGMAR1 Q99720 11/20 0.47
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
EBP Q15125 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL9678767 0.92 SIGMAR1 (0.57) OPRL1OPRM1SIGMAR1OPRK1
SCHEMBL9844227 0.88 SIGMAR1 (0.59) OPRM1SIGMAR1HTR7
SCHEMBL9844178 0.88 SIGMAR1 (0.58) OPRL1OPRM1OPRD1SIGMAR1
SCHEMBL9844284 0.86 SIGMAR1 (0.54) OPRL1OPRM1OPRD1SIGMAR1
SCHEMBL9844269 0.86 SIGMAR1 (0.63) SIGMAR1
SCHEMBL9844429 0.86 OPRL1 (0.58) OPRL1OPRM1OPRD1SIGMAR1ABCB11
SCHEMBL9844213 0.86 SIGMAR1 (0.60) SIGMAR1HTR7
SCHEMBL9844330 0.85 OPRL1 (0.54) OPRL1OPRM1OPRD1SIGMAR1ABCB11
SCHEMBL9844252 0.84 SIGMAR1 (0.56) OPRL1OPRM1OPRD1SIGMAR1ABCB11
SCHEMBL9844419 0.84 SIGMAR1 (0.62) SIGMAR1HTR7

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