SCHEMBL7825201

SCHEMBL7825201

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
PDK2 Q15119 2/20 0.39
CHRM4 P08173 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL7834666 0.89 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BPDK2CHRM4
SCHEMBL7834781 0.84 SIGMAR1 (0.37) SIGMAR1ITGB3ITGA2BCHRM4GPR119
SCHEMBL7837372 0.83 ITGB3 (0.45) SIGMAR1ITGB3ITGA2BCHRM4PRSS1
SCHEMBL7835452 0.81 PRSS1 (0.44) SIGMAR1ITGB3ITGA2BCHRM4GPR119
SCHEMBL7836103 0.80 CTSG (0.43) ITGB3ITGA2BCHRM4PRSS1CTSG
SCHEMBL7833534 0.80 YAP1 (0.43) ITGB3ITGA2BCHRM4PRSS1CTSG
SCHEMBL7836339 0.79 YAP1 (0.44) ITGB3ITGA2BCHRM4PRSS1CTSG
SCHEMBL7833800 0.79 YAP1 (0.44) ITGB3ITGA2BCHRM4PRSS1CTSG
SCHEMBL8407569 0.78 CCNK (0.51) SIGMAR1PDK2GPR119
SCHEMBL7478359 0.77 ITGB3 (0.46) ITGB3ITGA2BKMT2A

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