SCHEMBL28570586

SCHEMBL28570586

CN1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)C(F)(F)F)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.38
RIPK1 Q13546 1/20 0.35
P2RX7 Q99572 9/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.33
ELANE P08246 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL24750151 0.84 ACE (0.40) ACERIPK1P2RX7MAPK1BRD4
SCHEMBL28576083 0.80 ACE (0.56) ACERIPK1P2RX7
SCHEMBL1637995 0.79 P2RX7 (0.40) ACEP2RX7MAPK1BRD4
SCHEMBL1637768 0.76 P2RX7 (0.47) ACEP2RX7MAPK1BRD4
SCHEMBL1638078 0.74 P2RX7 (0.42) ACERIPK1P2RX7MAPK1BRD4
SCHEMBL1636116 0.72 P2RX7 (0.46) ACEP2RX7MAPK1
SCHEMBL28568069 0.72 ACE (0.54) ACERIPK1BRD4
SCHEMBL28968201 0.71 HPGD (0.43) ACERIPK1
SCHEMBL13928519 0.69 NR1H2 (0.37) MAPK1BRD4
SCHEMBL3326606 0.68 HRH3 (0.42) MAPK1

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-105713068-B Method for preparing imidapril key intermediate and derivative thereof 湖南九典制药股份有限公司 2021-04-20 CN disclosed