SCHEMBL3916112

SCHEMBL3916112

CC(N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.37
ACE P12821 3/20 0.37
MME P08473 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL3810013 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL9665720 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3916119 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL17293240 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749822 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749821 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL29511173 1.00 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
Water SCHEMBL29655463 0.99 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2
SCHEMBL4587799 0.99 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2
SCHEMBL2813159 0.99 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2

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
EP-2035444-A2 DIPEPTIDE COMPOUNDS CONTAINING D-HISTIDINE Flamma S.P.A. (IT) 2009-03-18 EP disclosed
WO-2008001175-A2 DIPEPTIDE COMPOUNDS CONTAINING D-HISTIDINE FLAMMA S.P.A. (IT) 2008-01-03 WO disclosed
EP-0132392-B1 ASYMMETRIC SYNTHESIS OF ALPHA-SUBSTITUTED-ALPHA-CYANOMETHYL ALCOHOLS ICI AUSTRALIA LIMITED (AU) 1992-01-02 EP disclosed
EP-0304954-A2 Cyclic dipeptide enantiomers ICI AUSTRALIA LIMITED (AU) 1989-03-01 EP disclosed
EP-0135691-A2 Cyanohydrination catalyst E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-03 EP disclosed
EP-0132392-A2 Asymmetric synthesis of alpha-substituted-alpha-cyanomethyl alcohols ICI AUSTRALIA LIMITED (AU) 1985-01-30 EP disclosed