SCHEMBL30596332

SCHEMBL30596332

CCOC(=O)C1(N)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL1455575 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17604702 0.95 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17604704 0.95 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9431163 0.83 TACR1 (0.44)
SCHEMBL2464083 0.83 TACR1 (0.44)
SCHEMBL17605721 0.81 KDM4E (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7452148 0.80 KDM4E (0.41)
SCHEMBL18260435 0.79 KDM1A (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7434294 0.78 SMN1; SMN2 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12185878 0.78 OPRM1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed