SCHEMBL2463406

SCHEMBL2463406

NCCCC(N)NCCN1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
RAD52 P43351 1/20 0.38
CXCR4 P61073 2/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KEAP1 Q14145 1/20 0.31
CA1 P00915 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
SCHEMBL28879363 0.83 MEN1 (0.52) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL8104892 0.74 HSD17B10 (0.44) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL5498811 0.74 ACE2 (0.61) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL302850 0.73 ACE2 (0.72) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL6961878 0.72 CXCR4 (0.56) HSD17B10ACE2CXCR4CYP2D6SMN1; SMN2
SCHEMBL234400 0.72 CXCR4 (0.56) HSD17B10ACE2CXCR4CYP2D6SMN1; SMN2
Trientine SCHEMBL9064137 0.72 ACE2 (0.69) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL600834 0.72 ACE2 (0.69) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL2138667 0.72 ACE2 (0.69) ANPEPERAP2HSD17B10ACE2MEN1
SCHEMBL6305650 0.72 ACE2 (0.69) ANPEPERAP2HSD17B10ACE2MEN1

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-2373760-B1 DECREASED PRESENCE OF AMINE-DERIVED CONTAMINANTS IN- AND/OR DEGRADATION OF AMINE SOLVENT SOLUTIONS HUNTSMAN PETROCHEMICAL LLC (US) 2016-08-03 EP claimed
US-20110232489-A1 METHOD TO DECREASE DECOMPOSITION PRODUCTS IN SOLUTIONS THAT ABSORB ACIDIC GASES SUCH AS CARBON DIOXIDE AND THE LIKE IN THE PRESENCE OF OXYGEN HUNTSMAN PETROCHEMICAL LLC (US) 2011-09-29 US claimed
US-8945280-B2 Method to decrease decomposition products in solutions that absorb acidic gases such as carbon dioxide and the like in the presence of oxygen HUNTSMAN PETROCHEMICAL LLC (US) 2015-02-03 US disclosed
US-20110232489-A1 METHOD TO DECREASE DECOMPOSITION PRODUCTS IN SOLUTIONS THAT ABSORB ACIDIC GASES SUCH AS CARBON DIOXIDE AND THE LIKE IN THE PRESENCE OF OXYGEN HUNTSMAN PETROCHEMICAL LLC (US) 2011-09-29 US disclosed