SCHEMBL2478832

SCHEMBL2478832

CC(N)N(CCN)CCNCCN.CCN(CCN)N1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL16912671 0.84 CYP2C9 (0.40) CYP2C9CYP2C19ACE2
SCHEMBL15658337 0.83 CYP2C9 (0.39) CYP2C9CYP2C19ACE2
Trientine SCHEMBL9064125 0.83 CYP2C9 (0.39) CYP2C9CYP2C19ACE2
SCHEMBL9064220 0.81 CYP2C9 (0.32) CYP2C9CYP2C19ACE2
SCHEMBL14158737 0.78 ACE2 (0.45) CYP2C9CYP2C19ACE2
SCHEMBL1264193 0.78
SCHEMBL18152543 0.77 ACE2 (0.40) CYP2C9CYP2C19ACE2
SCHEMBL9064141 0.77 CYP2C19 (0.50) CYP2C9CYP2C19ACE2
SCHEMBL4111284 0.77 CYP2C19 (0.50) CYP2C9CYP2C19ACE2
SCHEMBL8977990 0.76 CYP2C9 (0.38) CYP2C9CYP2C19ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307338-B1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES HENKEL LOCTITE CORP (US) 2011-10-12 EP disclosed
EP-1307338-A4 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES HENKEL LOCTITE CORP (US) 2004-08-04 EP disclosed
EP-1307338-A1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES Henkel Loctite Corporation (US) 2003-05-07 EP disclosed
WO-2002007963-A1 MONOLITHIC EXPANDABLE STRUCTURES, METHODS OF MANUFACTURE AND COMPOSITE STRUCTURES DEXTER CORPORATION (US) 2002-01-31 WO disclosed