SCHEMBL7523725

SCHEMBL7523725

CN(C)CCCNCCC(=O)NCCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.64
PAOX Q6QHF9 1/20 0.58
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.47
NAAA Q02083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
CASP2 P42575 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1527147 0.88 DNM1 (0.72) DNM1PAOXKDM4EMEN1KMT2A
SCHEMBL8773743 0.86 DNM1 (0.76) DNM1PAOXKDM4EALOX15NAAA
SCHEMBL23899001 0.86 DNM1 (0.82) DNM1PAOXKDM4ENAAATSHR
SCHEMBL13576204 0.85 DNM1 (0.64) DNM1PAOXKDM4EMEN1KMT2A
SCHEMBL22694309 0.85 PAOX (0.58) DNM1PAOXKDM4EMEN1ALDH1A1
SCHEMBL7137887 0.84 DNM1 (0.79) DNM1PAOXKDM4ENAAATSHR
SCHEMBL20438143 0.83 DNM1 (0.65) DNM1MEN1ALDH1A1KMT2ATDP1
SCHEMBL11402225 0.82 DNM1 (0.77) DNM1PAOXKDM4EMEN1KMT2A
SCHEMBL29317564 0.81 DNM1 (0.60) DNM1PAOXKDM4EMEN1ALDH1A1
SCHEMBL24485546 0.81 DNM1 (0.63) DNM1PAOXKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380274-B1 REACTING AN ORGANIC POLYISOCYANATE WITH A COMPOUND HAVING A REACTIVE HYDROGEN IN THE PRESENCE OF ALKOXY AMIDE COMPOUND AS CATALYST TO PRODUCE POLYURETHANE AIR PRODUCTS AND CHEMICALS, INC. 2002-04-30 US disclosed
EP-0799821-B1 Process for the synthesis of polyurethane using reactive amine catalysts CROMPTON CORP (US) 2002-03-13 EP disclosed
US-6313346-B1 Catalyst compositions for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. 2001-11-06 US disclosed
US-6153659-A 3-{N-[2-(N',N'-dimethylamino ethoxy)ethyl]-N-methylamino}propionamide for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-11-28 US disclosed
EP-1038894-A2 New catalyst compositions for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-09-27 EP disclosed
EP-1038895-A2 3- (N-(2-(N',N'-Dimethylamino Ethoxy)Ethyl) -N-Methylamino) Propionamide for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-09-27 EP disclosed
US-6037496-A CATALYZES THE REACTION BETWEEN AN ISOCYANATE AND WATER IN THE PRODUCTION OF FOAMED POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-03-14 US disclosed