SCHEMBL7226706

SCHEMBL7226706

O=C(C1CC1)N(CC1CCCN(CCc2ccccc2)C1)C1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.51
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
KMT2A Q03164 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL5870761 0.78 OPRM1 (0.50) OPRM1SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL7226707 0.76 KDM4E (0.49) OPRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5871105 0.73 SMN1; SMN2 (0.53) OPRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5870685 0.73 OPRD1 (0.62) OPRM1SLC6A3CHRNA4OPRD1OPRK1
SCHEMBL5870682 0.73 OPRD1 (0.62) OPRM1SLC6A3CHRNA4OPRD1OPRK1
SCHEMBL5870753 0.73 OPRD1 (0.62) OPRM1SLC6A3CHRNA4OPRD1OPRK1
SCHEMBL5870735 0.72 CHRNB2 (0.46) OPRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23211151 0.71 RPS6KB1 (0.49) OPRM1SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL4839281 0.71 OPRM1 (0.58) OPRM1SLC6A3CHRNA4KMT2AOPRD1
SCHEMBL5870834 0.70 OPRM1 (0.55) OPRM1SLC6A3CHRNA4OPRD1OPRK1

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-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 US disclosed