SCHEMBL8939651

SCHEMBL8939651

CN[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCNC(=N)N)C(=O)c1nc(C(=O)O)cs1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.35
OPRM1 P35372 6/20 0.34
OPRK1 P41145 6/20 0.34
NMUR2 Q9GZQ4 4/20 0.34
NMUR1 Q9HB89 4/20 0.34
F2 P00734 3/20 0.33
XIAP P98170 2/20 0.33
ACKR3 P25106 1/20 0.33

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
SCHEMBL7509967 0.92 CTSK (0.37) EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL2526255 0.86 F2 (0.46) F2
SCHEMBL6967946 0.85 F2 (0.38) EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL7504596 0.85 F2 (0.45) F2
SCHEMBL6976859 0.84 F2 (0.39) F2
SCHEMBL7502292 0.84 F2 (0.36) OPRM1OPRK1NMUR2NMUR1F2
SCHEMBL8939612 0.84 F2 (0.40) EPHA2NMUR2NMUR1F2
SCHEMBL8939663 0.83 F2 (0.39) F2XIAP
SCHEMBL7506385 0.83 F2 (0.40) EPHA2NMUR2NMUR1F2
SCHEMBL7496053 0.83 TP53 (0.39) OPRM1OPRK1F2

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