SCHEMBL7835452

SCHEMBL7835452

CC(C)(C)OC(=O)CC1CCN(C(=O)C(c2ccccc2)C(C)(C)NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
CTSG P08311 2/20 0.44
CTRB1 P17538 2/20 0.44
CMA1 P23946 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CHRM4 P08173 1/20 0.41
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
GPR119 Q8TDV5 2/20 0.41
CCR3 P51677 1/20 0.40
CCR1 P32246 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
YAP1 P46937 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7836103 0.90 CTSG (0.43) PRSS1CTSGCTRB1CMA1KDM4E
SCHEMBL7836339 0.89 YAP1 (0.44) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7826447 0.87 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7826213 0.85 KDM4E (0.41) PRSS1CTSGCTRB1CMA1KDM4E
SCHEMBL7837372 0.84 ITGB3 (0.45) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7835873 0.84 YAP1 (0.41) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7833217 0.84 GRIN2B (0.42) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7357897 0.83 YAP1 (0.46) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7834781 0.82 SIGMAR1 (0.37) PRSS1CTSGCTRB1CMA1CHRM4
SCHEMBL7839324 0.81 ITGB3 (0.44) 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