SCHEMBL28486298

SCHEMBL28486298

CCN(CC)N(C(=O)O)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
OPRL1 P41146 2/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 2/20 0.38
OPRD1 P41143 5/20 0.37
CYP2D6 P10635 5/20 0.37
KCNH2 Q12809 4/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL28489310 0.76 OPRM1 (0.44) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL4120433 0.76 OPRM1 (0.60) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL28488803 0.74 SLC6A2 (0.42) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL8135217 0.69 SLC6A2 (0.53) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27699362 0.68 OPRL1 (0.54) OPRM1OPRL1OPRK1MEN1ALDH1A1
SCHEMBL1919144 0.68 SLC6A2 (0.56) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL6543165 0.68 SLC6A2 (0.52) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL28285338 0.68 OPRM1 (0.40) OPRM1SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL7961014 0.68 SLC6A2 (0.46) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL19470000 0.67 OPRM1 (0.44) OPRM1SLC6A2SLC6A4LMNAOPRD1

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-109761883-B 4-carbamate-cinnamamide-4-benzyl piperidine compound and preparation method and application thereof 南阳师范学院 2020-11-03 CN disclosed