SCHEMBL2478837

SCHEMBL2478837

NCCNCCN(CCN)CCN.NCCNCCN1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.59
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAD52 P43351 1/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CXCR4 P61073 2/20 0.35
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL8603367 0.97 ACE2 (0.53) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL15657166 0.94 ACE2 (0.50) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL29860788 0.94 ACE2 (0.50) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL2478304 0.89 ACE2 (0.47) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL14980612 0.88 ACE2 (0.47) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL302850 0.87 ACE2 (0.72) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL3975414 0.85 ACE2 (0.70) ACE2ANPEPERAP2CYP3A4CYP2D6
Trientine SCHEMBL9064137 0.85 ACE2 (0.69) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL600834 0.85 ACE2 (0.69) ACE2ANPEPERAP2CYP3A4CYP2D6
SCHEMBL2138667 0.85 ACE2 (0.69) ACE2ANPEPERAP2CYP3A4CYP2D6

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