SCHEMBL7836801

SCHEMBL7836801

CC(C)(C(=O)O)C(NC(=O)c1ccc(C#N)cc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 6/20 0.64
PRSS1 P07477 5/20 0.64
CTRB1 P17538 5/20 0.64
CMA1 P23946 5/20 0.64
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
S1PR4 O95977 2/20 0.43
S1PR3 Q99500 2/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL7825862 0.89 CTSG (0.80) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7837287 0.85 PRSS1 (0.64) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7836199 0.83 CTSG (0.65) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7835567 0.81 CTSG (0.58) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7826107 0.79 PRSS1 (0.62) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7836741 0.79 PRSS1 (0.62) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7835767 0.78 PRSS1 (0.56) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7838715 0.76 PRSS1 (0.46) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7837407 0.76 PRSS1 (0.54) CTSGPRSS1CTRB1CMA1MEN1
SCHEMBL7825623 0.75 CTSG (0.61) CTSGPRSS1CTRB1CMA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed