SCHEMBL28152243

SCHEMBL28152243

O=C(O)[C@@H]1CCCC2CCCN21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
REN P00797 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2223045 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL2223050 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL28152132 1.00 ACE (0.43) ACECNR1CNR2RENLMNA
SCHEMBL9107688 0.96 ACE (0.41) ACECNR1CNR2REN
SCHEMBL1952767 0.96 ACE (0.41) ACECNR1CNR2REN
SCHEMBL3720680 0.94 CNR2 (0.40) ACECNR1CNR2
SCHEMBL3180764 0.94 CNR2 (0.40) ACECNR1CNR2
SCHEMBL4336856 0.94 CNR1 (0.42) ACECNR1CNR2
SCHEMBL15665698 0.94 CNR1 (0.42) ACECNR1CNR2
SCHEMBL3720683 0.94 CNR2 (0.40) ACECNR1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928126-B Amide derivative, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2019-12-20 CN disclosed
CN-106928126-A A kind of amide derivatives and preparation method thereof and application pharmaceutically 四川海思科制药有限公司 2017-07-07 CN disclosed