SCHEMBL13865204

SCHEMBL13865204

C=C1C=CC(=O)N1CCCNC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ MGLL Q99685 4/20 0.39
▸ FAAH O00519 3/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12203264 0.89 MGLL (0.50) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698560 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL24285518 0.80 MGLL (0.43) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698546 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698561 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698548 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698551 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL19698562 0.77 OPRM1 (0.39) OPRM1OPRD1OPRK1MGLLFAAH
SCHEMBL13374290 0.77 PTGS1 (0.51) MGLLFAAHKMT2ARAB9AHSP90AA1
SCHEMBL17740045 0.75 PTGS1 (0.53) OPRM1OPRD1OPRK1MGLLFAAH

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
US-7534902-B2 Fluorescence assays with improved sensitivity WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 — — US disclosed
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