SCHEMBL8309484

SCHEMBL8309484

Cc1c(N)c(C)c(C(C)C)c2c1CC(C)(CNC1CCN(C(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 5/20 0.31
OPRK1 P41145 5/20 0.31
OPRL1 P41146 5/20 0.31
OPRD1 P41143 4/20 0.31
DPP4 P27487 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8310455 0.91 L3MBTL3 (0.33) HTTKDM4EALDH1A1SMN1; SMN2L3MBTL3
SCHEMBL8310792 0.81 L3MBTL3 (0.34) HTTALDH1A1L3MBTL3L3MBTL1OPRM1
SCHEMBL6977637 0.79 CHRM1 (0.30)
SCHEMBL8574046 0.78 ADRA1D (0.36) HTTKDM4EALDH1A1SMN1; SMN2L3MBTL3
SCHEMBL8311208 0.76 MAOB (0.32)
SCHEMBL6977824 0.73 DRD2 (0.39)
SCHEMBL9698183 0.72 OPRM1 (0.38) ALDH1A1OPRM1OPRK1OPRD1GAA
Hydrochloric Acid SCHEMBL8713715 0.71 MEN1 (0.38) ALDH1A1SMN1; SMN2OPRM1OPRK1OPRD1
SCHEMBL6976347 0.70 CHRM1 (0.32)
SCHEMBL6980124 0.70 CHRM1 (0.32)

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
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed