SCHEMBL29239683

SCHEMBL29239683

COC(=O)C1(N2CCN(C3COC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRM1 P35372 1/20 0.32
LRRK2 Q5S007 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL3717877 0.76 ALDH1A1 (0.40)
SCHEMBL232028 0.72 NPSR1 (0.39) OPRL1OPRD1OPRM1
SCHEMBL17155053 0.71 OPRL1 (0.37) OPRL1OPRD1OPRM1
SCHEMBL2707689 0.70 HCN4 (0.40) OPRL1OPRD1OPRM1
SCHEMBL6816556 0.70 NPSR1 (0.41) OPRL1OPRD1OPRM1
SCHEMBL25435107 0.69 NPSR1 (0.33) OPRL1OPRD1OPRM1
SCHEMBL21877094 0.69 KMT2A (0.34) OPRL1OPRD1OPRM1
SCHEMBL16098379 0.69 POLB (0.43) CHRM1
SCHEMBL6816871 0.69 NPSR1 (0.44) OPRL1OPRD1OPRM1
SCHEMBL31527166 0.69 NPSR1 (0.39) OPRL1OPRD1OPRM1

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
CN-114591319-B Tetrahydropyridopyrimidine derivative and application thereof 江苏先声药业有限公司 2024-06-28 CN disclosed
CN-114591319-A Tetrahydropyridopyrimidine derivative and application thereof 江苏先声药业有限公司 2022-06-07 CN disclosed