SCHEMBL28569463

SCHEMBL28569463

CC(CCNCC(Cc1ccc(C(N)=O)cc1)N(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.54
OPRK1 P41145 8/20 0.54
OPRD1 P41143 4/20 0.48
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28569460 1.00 OPRM1 (0.54) OPRM1OPRK1OPRD1DPP4ALDH1A1
SCHEMBL28563939 0.84 OPRK1 (0.49) OPRM1OPRK1OPRD1
SCHEMBL28563937 0.84 OPRK1 (0.49) OPRM1OPRK1OPRD1
SCHEMBL25152875 0.83 OPRM1 (0.78) OPRM1OPRK1OPRD1
SCHEMBL21447194 0.83 OPRM1 (0.78) OPRM1OPRK1OPRD1
SCHEMBL21447474 0.83 OPRM1 (0.78) OPRM1OPRK1OPRD1
SCHEMBL11465953 0.80 ALDH1A1 (0.50) OPRM1DPP4ALDH1A1
SCHEMBL11110907 0.80 ALDH1A1 (0.50) OPRM1DPP4ALDH1A1
Bromide SCHEMBL11475191 0.79 ALDH1A1 (0.49) OPRM1DPP4ALDH1A1
Hydrochloric Acid SCHEMBL11472436 0.79 ALDH1A1 (0.49) DPP4ALDH1A1LMNA

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-112867705-A Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2021-05-28 CN disclosed