Sugi Predict

Sugi Predict / Compounds / SCHEMBL7546883

SCHEMBL7546883

SCHEMBL7546883

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.34
▸ OPRM1 P35372 6/20 0.34
▸ OPRK1 P41145 6/20 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 0.92 F2 (0.40) F2
SCHEMBL7506385 0.91 F2 (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL8939663 0.91 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL6976859 0.91 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL2526255 0.91 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7496053 0.90 TP53 (0.39) F2OPRM1OPRK1
SCHEMBL7504596 0.89 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7502292 0.86 F2 (0.36) F2OPRM1OPRK1
SCHEMBL6975942 0.84 F2 (0.35) F2
SCHEMBL8939655 0.83 F2 (0.47) F2PRSS1PRSS2PRSS3

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