SCHEMBL28849860

SCHEMBL28849860

CCN(C)C(=O)C1(C(=O)OC)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL30915390 0.82 LMNA (0.35) NPSR1OPRM1SLC6A2SLC6A4CYP4F2
SCHEMBL24680602 0.79 NPSR1 (0.42) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL6222739 0.76 OPRK1 (0.46) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL12462298 0.73 NPSR1 (0.46) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL225044 0.73 NPSR1 (0.46) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL30149681 0.72 NPSR1 (0.44) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL25718014 0.72 SLC6A2 (0.33) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL15125183 0.71 NPSR1 (0.38) NPSR1OPRM1OPRK1CYP4F2CYP4A11
SCHEMBL31733084 0.71 NPSR1 (0.38) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL7370344 0.69 CYP4F2 (0.36) OPRM1OPRK1SLC6A2SLC6A4SLC6A3

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
WO-2022199586-A1 PYRIMIDOPYRIDINE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州泽璟生物制药股份有限公司 2022-09-29 WO disclosed
CN-115109078-A Pyrimidopyridine inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2022-09-27 CN disclosed