SCHEMBL5285987

SCHEMBL5285987

NC(=O)CCC(=O)NCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.38
TPSAB1 Q15661 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
GAA P10253 1/20 0.33
KDM5C P41229 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 2/20 0.31
TP53 P04637 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
SOAT1 P35610 1/20 0.31
ALOX15 P16050 2/20 0.31
BLM P54132 2/20 0.31

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
SCHEMBL23048107 0.85 FAAH (0.43) RECQLALDH1A1KDM4EPHF8KDM2A
SCHEMBL9870186 0.85 PHF8 (0.52) RECQLALDH1A1KDM4EPHF8KDM2A
SCHEMBL25917430 0.84 RECQL (0.54) RECQLTPSAB1ALDH1A1GAAMAOA
SCHEMBL11773061 0.84 ALDH1A1 (0.38) RECQLTPSAB1ALDH1A1KDM4EPHF8
SCHEMBL24075889 0.83 ALDH1A1 (0.46) RECQLTPSAB1ALDH1A1KDM4EPHF8
SCHEMBL16299451 0.82 NAAA (0.42) RECQLALDH1A1GAAMAOAMAOB
SCHEMBL31261082 0.82 MAOA (0.40) RECQLTPSAB1ALDH1A1GAAMAOA
SCHEMBL11306604 0.80 CA1 (0.38) RECQLALDH1A1GAAMAOAMAOB
SCHEMBL7771322 0.80 CTSD (0.52) RECQLALDH1A1GAAKMT2ATP53
SCHEMBL6110682 0.80 FAAH (0.45) RECQLALDH1A1KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007060-A2 N- OR C- TERMINALLY MODIFIED SMALL PEPTIDES ZEALAND PHARMA A/S (DK) 2007-01-18 WO disclosed
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US disclosed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP disclosed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US disclosed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed