SCHEMBL7314439

SCHEMBL7314439

O=[C]C(Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.55
SLC6A9 P48067 3/20 0.50
SLC6A5 Q9Y345 2/20 0.50
CTSC P53634 2/20 0.48
CTSL P07711 3/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CTRB1 P17538 5/20 0.47
TAOK1 Q7L7X3 2/20 0.45
TAOK3 Q9H2K8 2/20 0.45

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
SCHEMBL7314446 1.00 GPR139 (0.55) GPR139SLC6A9SLC6A5CTSCCTSL
SCHEMBL40779 0.85 CTRB1 (0.58) CTSLCTSSCTSKCTRB1
SCHEMBL40780 0.85 CTRB1 (0.58) CTSLCTSSCTSKCTRB1
SCHEMBL11863650 0.83 CTSC (0.62) SLC6A9SLC6A5CTSCCTSLCTSS
SCHEMBL11863638 0.83 CTSC (0.62) SLC6A9SLC6A5CTSCCTSLCTSS
SCHEMBL3792436 0.81 CTSC (0.46) CTSCCTSLCTSSCTSKCTRB1
SCHEMBL2574911 0.80 CTRB1 (0.50) CTSCCTRB1
SCHEMBL2574907 0.80 CTRB1 (0.50) CTSCCTRB1
SCHEMBL11403190 0.80 CTSC (0.50) CTSC
SCHEMBL828728 0.80 ACE (0.65) GPR139SLC6A9SLC6A5CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed