SCHEMBL7446596

SCHEMBL7446596

C[C@H](NCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N(C1CCCCC1)[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.35
REN P00797 3/20 0.32
F2 P00734 5/20 0.32
PRSS1 P07477 4/20 0.31
EPHA2 P29317 2/20 0.31
OPRM1 P35372 2/20 0.30
OPRK1 P41145 2/20 0.30

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
SCHEMBL6374495 0.90 BIRC2 (0.33) ACERENF2OPRM1OPRK1
Hydrochloric Acid SCHEMBL7417456 0.89 BIRC2 (0.32) ACERENF2OPRM1OPRK1
SCHEMBL9240904 0.88 F2 (0.33) ACERENF2OPRM1OPRK1
Hydrochloric Acid SCHEMBL7415560 0.88 PREP (0.36) F2OPRM1OPRK1
Sulfuric Acid SCHEMBL6373694 0.87 BIRC2 (0.31) F2
Sulfurous Acid SCHEMBL7414609 0.87 BIRC2 (0.31) ACEF2
SCHEMBL7444970 0.86 F2 (0.32) F2
Hydrochloric Acid SCHEMBL7415745 0.86 F2 (0.31) F2
Sulfurous Acid SCHEMBL8644931 0.85 BIRC2 (0.30)
Hydrochloric Acid SCHEMBL7410940 0.84 ACE (0.33) ACEF2OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748333-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-10 EP claimed
US-5602101-A THROMBIN INHIBITORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-11 US claimed
EP-0748333-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-18 EP claimed
WO-1995023809-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed