SCHEMBL28538166

SCHEMBL28538166

CCCN1CCC(C)(N)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.36
OPRM1 P35372 4/20 0.33
OPRL1 P41146 4/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP19A1 P11511 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.30
S1PR1 P21453 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
SCHEMBL28648812 0.80 PER2 (0.38) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL24818589 0.78 PER2 (0.38) BDKRB2OPRM1OPRL1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL8031383 0.78 PER2 (0.37) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL18673587 0.77 BDKRB2 (0.39) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL13201398 0.70 KMT2A (0.58) OPRM1OPRL1OPRK1L3MBTL1POLB
SCHEMBL8295687 0.69 CHRM2 (0.35) BDKRB2CHRM2CHRM3L3MBTL1POLB
SCHEMBL27602897 0.69 OPRM1 (0.45) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL7399464 0.69 DAO (0.45)
SCHEMBL11608109 0.68 BDKRB2 (0.35) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL10687217 0.67 PLA2G10 (0.40) OPRM1OPRL1L3MBTL1

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-112469439-A With leukotriene A4Hydrolase modulators for the treatment of aging-related diseases 万能溶剂有限公司 2021-03-09 CN disclosed