SCHEMBL580563

SCHEMBL580563

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)ON1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.53
OPRD1 P41143 4/20 0.53
OPRK1 P41145 4/20 0.53
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
LTA4H P09960 2/20 0.47
EPHX2 P34913 2/20 0.46
TACR2 P21452 4/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
SLC6A2 P23975 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
SCHEMBL580224 0.86 CYP2C9 (0.55) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL580054 0.78 OPRM1 (0.55) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL579606 0.77 OPRM1 (0.65) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL580457 0.76 OPRM1 (0.58) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL580592 0.76 OPRM1 (0.56) OPRM1OPRD1OPRK1RECQLMEN1
SCHEMBL5718110 0.76 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AEPHX2MAPT
SCHEMBL579469 0.76 OPRM1 (0.67) OPRM1OPRD1OPRK1RECQLHPGD
SCHEMBL579849 0.76 OPRM1 (0.53) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL580225 0.75 SMN1; SMN2 (0.71) OPRM1OPRD1OPRK1RECQLALDH1A1
SCHEMBL580074 0.74 OPRM1 (0.51) OPRM1OPRD1OPRK1RECQLALDH1A1

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-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed