SCHEMBL8503604

SCHEMBL8503604

CCCCOC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
BCHE P06276 1/20 0.42
S1PR5 Q9H228 7/20 0.42
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8527336 0.87 SIGMAR1 (0.51) OPRD1OPRK1L3MBTL1ALDH1A1TSHR
SCHEMBL23540110 0.83 OPRD1 (0.45) OPRD1OPRK1L3MBTL1ALDH1A1TSHR
SCHEMBL7983083 0.78 PDK1 (0.55) OPRD1OPRK1L3MBTL1ALDH1A1TSHR
SCHEMBL7983089 0.78 PDK1 (0.55) OPRD1OPRK1L3MBTL1ALDH1A1TSHR
SCHEMBL7983086 0.78 PDK1 (0.55) OPRD1OPRK1L3MBTL1ALDH1A1TSHR
SCHEMBL17086784 0.78 KMT2A (0.49) OPRD1OPRK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL317705 0.78 ADORA3 (0.57) OPRD1OPRK1ALDH1A1MAPK1ADORA3
SCHEMBL3151932 0.78 KMT2A (0.49) OPRD1OPRK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL3151938 0.78 KMT2A (0.49) OPRD1OPRK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL4832341 0.78 BRD4 (0.48) ALDH1A1TSHRS1PR5S1PR1LMNA

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-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed