SCHEMBL25008577

SCHEMBL25008577

CC(C)N1C(=O)N(C)CC1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.33
GRM5 P41594 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
SCHEMBL15395030 0.75 GRM5 (0.41) GRM5
SCHEMBL25007058 0.75 PIK3CD (0.38)
SCHEMBL8633574 0.74 ACE (0.35) ACE
SCHEMBL14554150 0.74 ACE (0.35) ACE
SCHEMBL12648596 0.74 ACE (0.35) ACE
SCHEMBL10308857 0.72 ACE (0.34) ACE
SCHEMBL24882685 0.72 ACE (0.38) ACE
SCHEMBL18389124 0.69 MAPT (0.33)
SCHEMBL21397845 0.68 ACE (0.32) ACE
SCHEMBL27335383 0.68 ACE (0.32) ACE

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
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed