SCHEMBL6181452

SCHEMBL6181452

CC(C)(C)N(C(=O)O)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC1CCc2n[nH]cc2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.40
CMA1 P23946 4/20 0.39
SCN4A P35499 1/20 0.39
ACE P12821 5/20 0.39
LTA4H P09960 2/20 0.38
TACR1 P25103 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
CTRB1 P17538 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
SCHEMBL6178779 0.90 TACR1 (0.38) XIAPSCN4ATACR1F2
SCHEMBL6180622 0.85 SCN4A (0.39) XIAPSCN4AF2
SCHEMBL6178104 0.85 SCN4A (0.39) XIAPSCN4AF2
SCHEMBL6195489 0.85 XIAP (0.42) XIAPSCN4AACELTA4HF2
Hydrochloric Acid SCHEMBL6094489 0.84 DPP4 (0.47) ACEF2
SCHEMBL6094570 0.83 XIAP (0.49) XIAPACETACR1F2PRSS1
SCHEMBL6095928 0.80 XIAP (0.46) XIAPF2PRSS1
SCHEMBL6180217 0.80 SCN5A (0.38) XIAPTACR1F2PRSS1
SCHEMBL6178057 0.78 KDM4E (0.41) XIAPSCN4AF2
SCHEMBL6181742 0.78 KDM4E (0.41) XIAPSCN4AF2

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
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed