SCHEMBL28488803

SCHEMBL28488803

O=C(O)N(CCc1ccccc1)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 1/20 0.37
CYP2D6 P10635 3/20 0.36
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
OPRK1 P41145 1/20 0.35
KEAP1 Q14145 1/20 0.34

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 0.75 OPRM1 (0.44) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL28285338 0.74 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL28486298 0.74 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL4120433 0.74 OPRM1 (0.60) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2183965 0.73 OPRM1 (0.42) SLC6A2SLC6A4KMT2AMEN1OPRM1
SCHEMBL19470000 0.71 OPRM1 (0.44) SLC6A2SLC6A4KMT2AMEN1NPC1
SCHEMBL5592301 0.70 CTSD (0.37) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL16826119 0.70 TACR1 (0.39) SLC6A2SLC6A3KMT2ATDP1OPRM1
SCHEMBL28274626 0.69 L3MBTL1 (0.38) OPRM1SIGMAR1
SCHEMBL1919144 0.69 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KMT2AMEN1

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