SCHEMBL3941601

SCHEMBL3941601

CC(C)COC(=O)N1CCC(N2CCc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
PRMT5 O14744 9/20 0.45
WDR77 Q9BQA1 9/20 0.45
P2RX4 Q99571 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.42
BRD4 O60885 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
SCHEMBL3940080 0.93 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1PRMT5
SCHEMBL7149147 0.88 L3MBTL1 (0.56) OPRM1OPRD1OPRK1OPRL1L3MBTL1
SCHEMBL4675524 0.85 PRMT5 (0.44) OPRM1OPRD1OPRK1OPRL1PRMT5
SCHEMBL4675514 0.85 PRMT5 (0.44) OPRM1OPRD1OPRK1OPRL1PRMT5
SCHEMBL5197149 0.84 GPR119 (0.41) PRMT5WDR77L3MBTL1
SCHEMBL5197000 0.84 DPP4 (0.43) PRMT5WDR77
SCHEMBL5223968 0.83 CHRM2 (0.49)
SCHEMBL5199029 0.82 NPSR1 (0.42) PRMT5WDR77L3MBTL1DRD2BRD4
SCHEMBL2707784 0.80 GPR119 (0.52) OPRM1OPRD1OPRK1OPRL1PRMT5
SCHEMBL5196493 0.79 GPR119 (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009016225-A1 1-PIPERIDINYL-6-PIPERIDINYLSULFONYLINDOLES AS 5-HT (2B) RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
WO-2009016227-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed