SCHEMBL8939663

SCHEMBL8939663

CN[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(F)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
CMA1 P23946 2/20 0.35
SMYD3 Q9H7B4 2/20 0.35
PRSS1 P07477 3/20 0.35
XIAP P98170 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL8939612 0.94 F2 (0.40) F2
SCHEMBL6976859 0.93 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7506385 0.93 F2 (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL2526255 0.92 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7496053 0.92 TP53 (0.39) F2
SCHEMBL7546883 0.91 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL7504596 0.90 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7502292 0.87 F2 (0.36) F2
SCHEMBL6967946 0.85 F2 (0.38) F2PRSS1
SCHEMBL6976617 0.84 SMYD3 (0.42) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed