SCHEMBL7837372

SCHEMBL7837372

COC(=O)CC1CCN(C(=O)C(c2cccc(Cl)c2)C(C)(C)NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
CHRM4 P08173 1/20 0.39
CCR3 P51677 1/20 0.37
YAP1 P46937 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL7837607 0.88 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7835452 0.84 PRSS1 (0.44) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7834781 0.84 SIGMAR1 (0.37) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7836103 0.83 CTSG (0.43) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7825201 0.83 SIGMAR1 (0.43) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7836339 0.82 YAP1 (0.44) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7834666 0.80 SIGMAR1 (0.41) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7825635 0.79 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7839324 0.79 ITGB3 (0.44) ITGB3ITGA2BPRSS1CTSGCTRB1
SCHEMBL7357897 0.78 YAP1 (0.46) PRSS1CTSGCTRB1CMA1CHRM4

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