SCHEMBL9738514

SCHEMBL9738514

CCOC(=O)C1(c2ccccc2)CCC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
OPRD1 P41143 6/20 0.48
OPRK1 P41145 6/20 0.48
SLC22A1 O15245 2/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8115016 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10968994 0.78 OPRM1 (0.49) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10690977 0.77 OPRM1 (0.53) OPRM1DDB1CRBNOPRD1OPRK1
SCHEMBL8763832 0.74 OPRM1 (0.50) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14214939 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3536978 0.71 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225662 0.71 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5893109 0.70 DDB1 (0.47) OPRM1DDB1CRBNOPRD1OPRK1
SCHEMBL11666841 0.69 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL830705 0.69 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-5164386-A Gastrointestinal and respiratory disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-11-17 US disclosed
EP-0404737-A2 New R(-) 3-quinuclidinol derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-12-27 EP disclosed