SCHEMBL7826784

SCHEMBL7826784

CCCCCC(NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSG P08311 12/20 0.64
CMA1 P23946 11/20 0.64
PRSS1 P07477 6/20 0.59
CTRB1 P17538 6/20 0.59
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46

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
SCHEMBL7835603 0.96 CTSG (0.63) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837210 0.91 CTSG (0.60) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837711 0.86 CTSG (0.57) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837132 0.82 CTSG (0.82) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7835767 0.77 PRSS1 (0.56) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7826783 0.76 CTSG (0.47) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7836337 0.76 CTSL (0.50) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837407 0.75 PRSS1 (0.54) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL27517270 0.73 MEN1 (0.55) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7825862 0.73 CTSG (0.80) CTSGCMA1PRSS1CTRB1MEN1

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