SCHEMBL7200775

SCHEMBL7200775

CN(C)CCCNCCC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.59
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DNM1 Q05193 1/20 0.43
ALOX15 P16050 1/20 0.41
DPP7 Q9UHL4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4A O75164 5/20 0.37
KDM4C Q9H3R0 5/20 0.37
KDM5A P29375 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37

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
SCHEMBL13926927 0.94 PAOX (0.58) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL23936912 0.88 CYP2C9 (0.52) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL7714301 0.83 PAOX (0.50) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL4602531 0.82 MAOA (0.53) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL11132752 0.82 PAOX (0.61) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL11813655 0.81 PAOX (0.62) PAOXTDP1KDM4EALDH1A1KMT2A
Bicarbonate SCHEMBL30077220 0.81 PAOX (0.64) PAOXTDP1KDM4EMEN1ALDH1A1
SCHEMBL177924 0.80
SCHEMBL7718766 0.80 PAOX (0.59) PAOXTDP1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4913278 0.80 MAOA (0.52) PAOXTDP1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38201-E1 Reacting organic polyisocyanate with compound containing reactive hydrogen in presence of catalyst comprising 3-((3-(dimethylamino)propyl)amino)-propionamide and/or 3,3'-((3-(dimethylamino)propyl)imino)bis-propanamide AIR PRODUCTS AND CHEMICALS, INC. 2003-07-22 US claimed
CN-109476841-B Novel polymer derivative and novel polymer derivative imaging probe using same 日本化药株式会社 2021-08-24 CN disclosed
CN-107249589-B Physiologically active substance-binding block copolymer 日本化药株式会社 2021-06-08 CN disclosed
CN-109642024-A Active targeting type polymeric derivative, the composition comprising the polymeric derivative and their purposes 日本化药株式会社 2019-04-16 CN disclosed
CN-109476841-A Novel polymer derivative and novel polymer derivative imaging probe using same 日本化药株式会社 2019-03-15 CN disclosed
CN-107249589-A Physiological activator combination block copolymer 日本化药株式会社 2017-10-13 CN disclosed
US-RE38201-E1 Reacting organic polyisocyanate with compound containing reactive hydrogen in presence of catalyst comprising 3-((3-(dimethylamino)propyl)amino)-propionamide and/or 3,3'-((3-(dimethylamino)propyl)imino)bis-propanamide AIR PRODUCTS AND CHEMICALS, INC. 2003-07-22 US disclosed
US-RE38201-E1 Reacting organic polyisocyanate with compound containing reactive hydrogen in presence of catalyst comprising 3-((3-(dimethylamino)propyl)amino)-propionamide and/or 3,3'-((3-(dimethylamino)propyl)imino)bis-propanamide AIR PRODUCTS AND CHEMICALS, INC. 2003-07-22 US disclosed
JP-2000290338-A AMIDO-FUNCTIONAL AMINE CATALYST FOR PRODUCTION OF POLYURETHANE AIR PROD AND CHEM INC 2000-10-17 JP disclosed