SCHEMBL9446201

SCHEMBL9446201

CCCc1cccc(N(C)C(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 7/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL9446187 0.86 SIGMAR1 (0.48) SIGMAR1
SCHEMBL11792297 0.86 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL169805 0.78 ALDH1A1 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL19009082 0.77 SIGMAR1 (0.41) DRD2DRD3DRD1SIGMAR1OPRM1
SCHEMBL9446203 0.77 NOS1 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1697001 0.76 SIGMAR1 (0.42) CNR1SIGMAR1
SCHEMBL11792292 0.75 DRD2 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22144432 0.75 IGLV6-57 (0.38) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1696796 0.73 HTR1A (0.45) CNR1SIGMAR1
SCHEMBL9446169 0.73 SLC6A2 (0.50) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250420-A Using an electron carrier TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-10-05 US disclosed
EP-0285998-B1 METHOD AND REAGENT FOR DETERMINATION OF DEHYDROGENASE OR ITS SUBSTRATE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-08-04 EP disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 US disclosed