SCHEMBL7371676

SCHEMBL7371676

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.64
PRSS1 P07477 1/20 0.64
PLG P00747 2/20 0.58
CMA1 P23946 15/20 0.51
CTRC Q99895 2/20 0.51
ACE P12821 1/20 0.51

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
SCHEMBL8366341 0.93 F2 (0.56) F2PRSS1PLGCMA1CTRC
SCHEMBL9815839 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29562010 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
SCHEMBL29560799 0.90 F2 (0.62) F2PRSS1CMA1CTRCACE
Hydrochloric Acid SCHEMBL7416216 0.90 F2 (0.54) F2PRSS1PLGACE
Hydrochloric Acid SCHEMBL7296655 0.89 F2 (0.59) F2PRSS1PLG
Hydrochloric Acid SCHEMBL7409436 0.89 F2 (0.59) F2PRSS1PLGACE
Efegatran SCHEMBL635674 0.89 F2 (0.58) F2PRSS1PLG
SCHEMBL11013687 0.88 F2 (0.60) F2PRSS1CMA1CTRCACE
SCHEMBL11013694 0.88 F2 (0.60) F2PRSS1CMA1CTRCACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675899-B1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INT INC (US) 1999-03-17 EP disclosed
US-5883077-A PEPTIDES ALDEHYDE ANALOGUES CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US disclosed
US-5739112-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1998-04-14 US disclosed
EP-0675899-A4 NOVEL INHIBITORS OF FACTOR Xa. CORVAS INT INC (US) 1996-01-24 EP disclosed
EP-0675899-A1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1995-10-11 EP disclosed
WO-1994013693-A1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1994-06-23 WO disclosed