SCHEMBL20656240

SCHEMBL20656240

CCN(CCN1CCN(CCNCCN)C1=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 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
SCHEMBL20656247 0.90 DPP4 (0.33) DPP4ACE2
SCHEMBL20656064 0.75 ACE2 (0.50) DPP4ACE2KMT2A
SCHEMBL20656244 0.75 RET (0.38) KMT2A
SCHEMBL22030132 0.74 ACE2 (0.48) DPP4ACE2KMT2A
SCHEMBL24530261 0.72 ACE2 (0.38) DPP4ACE2
SCHEMBL21711072 0.72 ACE2 (0.43) DPP4ACE2KMT2A
SCHEMBL24530260 0.72 ACE2 (0.43) DPP4ACE2KMT2A
SCHEMBL24530437 0.72 ACE2 (0.38) DPP4ACE2DRD2DRD3KCNH2
SCHEMBL24530376 0.71 ACE2 (0.42) DPP4ACE2KMT2A
SCHEMBL24530397 0.70 ACE2 (0.36) DPP4ACE2

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-2019011708-A1 PROCESS FOR MAKING HIGHER ETHYLENE AMINES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-01-17 WO disclosed