SCHEMBL28272471

SCHEMBL28272471

COC(=O)C(C#N)C1(c2ccccn2)CCOC2(CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 20/20 0.39
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CACNA1C Q13936 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
SCHEMBL12541461 0.92 OPRM1 (0.43) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL31114270 0.92 OPRM1 (0.43) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL29968127 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL28272416 0.87 OPRM1 (0.40) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL25007168 0.85 OPRM1 (0.38) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL28270852 0.83 OPRM1 (0.44) OPRM1CYP3A4CYP2D6
SCHEMBL20825353 0.82 MEN1 (0.44) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL16020795 0.76 HDAC4 (0.37) OPRM1
SCHEMBL11920606 0.75 SMN1; SMN2 (0.47) —
SCHEMBL22261626 0.75 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2SCN5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 — — CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 — — CN disclosed
CN-109206417-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2019-01-15 — — CN disclosed
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