SCHEMBL7502292

SCHEMBL7502292

CN[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc3ccccc3c2s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
NMUR2 Q9GZQ4 5/20 0.35
NMUR1 Q9HB89 5/20 0.35
CAPN1 P07384 2/20 0.33
CTSB P07858 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 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
SCHEMBL2526255 0.90 F2 (0.46) F2
SCHEMBL8939612 0.89 F2 (0.40) F2NMUR2NMUR1
SCHEMBL7504596 0.88 F2 (0.45) F2
SCHEMBL7506385 0.87 F2 (0.40) F2NMUR2NMUR1
SCHEMBL8939663 0.87 F2 (0.39) F2
SCHEMBL6976859 0.87 F2 (0.39) F2CAPN1CTSB
SCHEMBL7496053 0.87 TP53 (0.39) F2OPRM1OPRK1
SCHEMBL7546883 0.86 F2 (0.41) F2OPRM1OPRK1
SCHEMBL6967946 0.86 F2 (0.38) F2NMUR2NMUR1OPRM1OPRK1
SCHEMBL8939651 0.84 EPHA2 (0.35) F2NMUR2NMUR1OPRM1OPRK1

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
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed