SCHEMBL8366341

SCHEMBL8366341

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.56
PRSS1 P07477 1/20 0.56
CMA1 P23946 7/20 0.52
PLG P00747 2/20 0.52
CTRC Q99895 2/20 0.49
EPHA2 P29317 3/20 0.48
OPRM1 P35372 6/20 0.47
OPRK1 P41145 6/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL7371676 0.93 F2 (0.64) F2PRSS1CMA1PLGCTRC
SCHEMBL6670339 0.91 F2 (0.48) F2PRSS1CMA1PLGCTRC
SCHEMBL6673600 0.91 F2 (0.48) F2PRSS1CMA1PLGCTRC
SCHEMBL8409610 0.88 F2 (0.52) F2PRSS1PLGEPHA2OPRM1
SCHEMBL9815839 0.84 F2 (0.62) F2PRSS1CMA1CTRCOPRM1
SCHEMBL29562010 0.84 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29560799 0.84 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL6670351 0.84 ITGB3 (0.48) F2PRSS1CMA1PLGCTRC
Efegatran SCHEMBL635674 0.84 F2 (0.58) F2PRSS1PLGEPHA2OPRM1
Hydrochloric Acid SCHEMBL7416216 0.84 F2 (0.54) F2PRSS1PLGEPHA2OPRM1

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-5955576-A PEPTIDE ALDEHYDE ANALOGS THAT INHIBIT THROMBIN OR FACTOR XA; FOR PREVENTION OR TREATMENT OF ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1999-09-21 US disclosed
EP-0684830-B1 INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1999-06-16 EP disclosed
US-5886146-A N-ACYLATED OR SULFONATED TRIPEPTIDES FROM PROLINE, ARGININE AND AMINO ACID WITH CARBOXY OR TETRAZOLE GROUP CORVAS INTERNATIONAL, INC. (US) 1999-03-23 US disclosed
EP-0627929-B1 INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1998-09-30 EP disclosed
US-5492895-A PEPTIDE ALDEHYDE ANALOGS CORVAS INTERNATIONAL, INC. (US) 1996-02-20 US disclosed