SCHEMBL28523959

SCHEMBL28523959

CCOC(=O)C1(c2ccc(N)cc2)COC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.48
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL22992533 0.89 OPRM1 (0.47) OPRM1LMNAOPRD1OPRK1SLC22A1
SCHEMBL1769207 0.86 OPRM1 (0.58) OPRM1LMNACYP1A2CYP3A4MAOA
SCHEMBL22992467 0.85 OPRM1 (0.52) OPRM1LMNAOPRD1OPRK1SLC22A1
SCHEMBL23005544 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273573 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23005545 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29418040 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12273671 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28305036 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273066 0.82 OPRM1 (0.58) 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-112341519-A Immunomodulator 成都先导药物开发股份有限公司 2021-02-09 CN disclosed