SCHEMBL7721337

SCHEMBL7721337

c1ccc(CN(Cc2ccccc2)C[C@H]2CC[C@H](CNCC3CCCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.50
OPRK1 P41145 13/20 0.50
OPRD1 P41143 10/20 0.50
RORC P51449 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL5722096 0.89 OPRM1 (0.61) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL7760721 0.84 EPHX1 (0.52) RORCNPC1RAB9AHDAC1HDAC6
SCHEMBL30093246 0.82 OPRM1 (0.57) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL23825801 0.81 RORC (0.49) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL23825798 0.81 RORC (0.49) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL12126132 0.80 OPRM1 (0.54) OPRM1OPRK1OPRD1RORCKDM4E
SCHEMBL5519308 0.79 KDM4E (0.54) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL8313794 0.79 OPRM1 (0.51) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL5519302 0.79 KDM4E (0.54) OPRM1OPRK1OPRD1RORCHDAC1
SCHEMBL8313789 0.79 OPRM1 (0.51) OPRM1OPRK1OPRD1RORCHDAC1

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-6387949-B1 ANALGESICS ASTRAZENECA CANADA INC. (CA) 2002-05-14 US disclosed