SCHEMBL9780534

SCHEMBL9780534

CCC(=O)C(CCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.67
DRD3 P35462 4/20 0.67
DRD2 P14416 2/20 0.67
DRD4 P21917 3/20 0.57
GRIN2D O15399 2/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2B Q13224 2/20 0.57
GRIN2C Q14957 2/20 0.57
OPRD1 P41143 2/20 0.57
KCNH2 Q12809 2/20 0.57
CYP2B6 P20813 2/20 0.57
CACNA1F O60840 1/20 0.57
ABCB1 P08183 1/20 0.57
OPRK1 P41145 1/20 0.57
CACNA1D Q01668 1/20 0.57
CACNA1S Q13698 1/20 0.57
CACNA1C Q13936 1/20 0.57
MRGPRX2 Q96LB1 1/20 0.57
LMNA P02545 3/20 0.44

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
SCHEMBL18994329 0.86 OPRM1 (0.69) OPRM1DRD3DRD2DRD4GRIN2D
Methane SCHEMBL5604947 0.85 OPRM1 (0.67) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL20607354 0.84 OPRM1 (0.66) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL4399206 0.82 CYP1A2 (0.45) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL8658465 0.81 OPRM1 (0.62) OPRM1DRD3DRD2DRD4GRIN2D
Normethadone SCHEMBL24337 0.80 OPRM1 (1.00) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL8658381 0.80 OPRM1 (0.61) OPRM1DRD3DRD2DRD4GRIN2D
Normethadone SCHEMBL1649313 0.79 OPRM1 (0.97) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL18994328 0.78 OPRM1 (0.58) OPRM1DRD3DRD2DRD4GRIN2D
SCHEMBL8661322 0.78 OPRM1 (0.58) OPRM1DRD3DRD2DRD4GRIN2D

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-5073629-A Haptens attached to immunogenic carrier; quantitative analysis , drugs testing ABBOTT LABORATORIES (US) 1991-12-17 US disclosed