SCHEMBL11250243

SCHEMBL11250243

CCOC(=O)CC1(c2cccc(O)c2)CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
KIF11 P52732 1/20 0.42
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
POLB P06746 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GAA P10253 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SLC22A1 O15245 1/20 0.38
CHRM2 P08172 1/20 0.38
ACHE P22303 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL11188355 0.87 GAA (0.47) OPRM1SLC6A4POLBOPRD1OPRK1
SCHEMBL11085421 0.86 ALDH1A1 (0.40) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11487502 0.85 MEN1 (0.41) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11541268 0.80 OPRM1 (0.43) OPRM1POLBGAAGRIN2DGRIN3B
SCHEMBL7238616 0.73 HTR7 (0.38) OPRM1SLC6A4SLC6A2GAASLC22A1
SCHEMBL11493527 0.73 FNTA (0.41) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL23595550 0.71 LMNA (0.52) OPRM1SLC6A4SLC6A2SLC22A1CHRM2
SCHEMBL23595542 0.71 LMNA (0.52) OPRM1SLC6A4SLC6A2SLC22A1CHRM2
SCHEMBL9316420 0.71 CYP3A4 (0.42) OPRM1SLC6A4OPRD1OPRK1GAA
SCHEMBL7679805 0.69 FNTA (0.44) OPRM1SLC6A4SLC6A2OPRD1OPRK1

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
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed