SCHEMBL8689552

SCHEMBL8689552

CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)C(CC1=CCCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.42
▸ ADORA1 P30542 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ BCHE P06276 3/20 0.40
▸ ACHE P22303 3/20 0.40
▸ KLK5 Q9Y337 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ PABPC1 P11940 1/20 0.36
▸ CMA1 P23946 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
SCHEMBL8124877 1.00 ACE (0.42) ACEADORA1KMT2ABCHEACHE
Hydrochloric Acid SCHEMBL8691725 0.84 DPP4 (0.41) ACEADORA1KMT2AF2
Hydrochloric Acid SCHEMBL8130787 0.84 DPP4 (0.41) ACEADORA1KMT2AF2
SCHEMBL8131706 0.80 ACE (0.46) ACEKMT2ABCHEACHEKLK5
SCHEMBL8125939 0.80 SCN9A (0.43) ACEADORA1KMT2AF2PRSS1
SCHEMBL8690505 0.80 SCN9A (0.43) ACEADORA1KMT2AF2PRSS1
SCHEMBL22962152 0.73 ACE (0.59) ACEKMT2AKLK5F2PRSS1
SCHEMBL7545974 0.72 ACE (0.58) ACEKMT2AKLK5F2PRSS1
SCHEMBL7545907 0.72 ACE (0.58) ACEKMT2AKLK5F2PRSS1
SCHEMBL7335472 0.72 ACE (0.49) ACEBCHEACHEKLK5CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 — — US disclosed
Send feedback