SCHEMBL7202436

SCHEMBL7202436

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.59
▸ CTSB P07858 3/20 0.58
▸ XIAP P98170 1/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ SLC6A2 P23975 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL27559117 1.00 CAPN1 (0.59) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL7202432 1.00 CAPN1 (0.59) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL16488740 0.95 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL18626009 0.95 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14673120 0.95 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14673121 0.95 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14682286 0.89 CAPN1 (0.58) CAPN1CTSBXIAPOPRM1ELANE
SCHEMBL16994620 0.89 CAPN1 (0.58) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14728356 0.89 CAPN1 (0.58) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL28478644 0.88 CAPN1 (0.53) CAPN1CTSBXIAPOPRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050242-A1 Protein polymerization inhibitors and methods of use TRIPEP AB (SE) 2003-03-13 — — US disclosed
US-20020091086-A1 Peptides that block viral infectivity and methods of use thereof VAHLNE ANDERS (SE) 2002-07-11 — — US disclosed
EP-1207897-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2002-05-29 — — EP disclosed
US-6258932-B1 TRIPEPTIDE OF DEFINED AMINO ACID SEQUENCE AND HAVING A C-TERMINAL AMIDE; VIRICIDES; TREATMENT AND PREVENTION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (BE) 2001-07-10 — — US disclosed
WO-2001010457-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDES TRIPEP AB (SE) 2001-02-15 — — WO disclosed
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