SCHEMBL9566478

SCHEMBL9566478

CCOC(=O)C1(C(=O)OCC)CC12CCNC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.36
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
SLC22A1 O15245 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL30706658 0.80 POLB (0.42) OPRM1SLC6A4POLBATMOPRD1
SCHEMBL24094554 0.75 OPRM1 (0.47) OPRM1SLC6A4SLC6A2SLC6A3POLB
SCHEMBL15760245 0.74 OPRM1 (0.46) OPRM1SLC6A4SLC6A2SLC6A3POLB
Hydrochloric Acid SCHEMBL28893436 0.73 OPRM1 (0.43) OPRM1SLC6A4SLC6A2SLC6A3POLB
Hydrochloric Acid SCHEMBL15416341 0.72 POLB (0.44) OPRM1SLC6A4SLC6A2SLC6A3POLB
SCHEMBL13118615 0.72 OPRM1 (0.45) OPRM1SLC6A4SLC6A2SLC6A3POLB
SCHEMBL30707055 0.72 OPRM1 (0.39) OPRM1SLC6A4POLBOPRD1OPRK1
Hydrochloric Acid SCHEMBL17535049 0.72 OPRM1 (0.51) OPRM1SLC6A4SLC6A2SLC6A3POLB
Hydrochloric Acid SCHEMBL1282401 0.72 OPRM1 (0.51) OPRM1SLC6A4SLC6A2SLC6A3POLB
SCHEMBL11581057 0.71 ALOX15 (0.48) OPRM1SLC6A4POLBATMOPRD1

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-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP claimed
EP-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed