SCHEMBL8896490

SCHEMBL8896490

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.41
ECE1 P42892 10/20 0.39
MME P08473 3/20 0.38
CPA1 P15085 3/20 0.38
ACE2 Q9BYF1 3/20 0.38
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 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
SCHEMBL29071842 0.90 ACE (0.38) ACEECE1MMECPA1ACE2
SCHEMBL749822 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL29511173 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL3916112 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL3916119 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL749821 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL17293240 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL3810013 0.89 CTRB1 (0.37) ACEMMECPA1ACE2
SCHEMBL8216358 0.89 ACE (0.51) ACEECE1MMECPA1ACE2
SCHEMBL9665720 0.89 CTRB1 (0.37) ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620955-A SYNTHETIC PEPTIDE DERIVATIVES; INHIBIT GROWTH OF SMALL CELL LUNG CANCER OR PANCREATIC CELLS PEPTIDE TECHNOLOGIES CORPORATION (US) 1997-04-15 US disclosed
WO-1995000542-A1 BOMBESIN RECEPTOR ANTAGONISTS AND USES THEREOF PEPTIDE TECHNOLOGIES CORPORATION (US) 1995-01-05 WO disclosed
EP-0315367-A2 Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-10 EP disclosed