SCHEMBL7393265

SCHEMBL7393265

CCCCN[C@@H](CC(=O)N(C)[C@H]1CCCN(C(=N)N)C1)C(=O)N(CCC(=O)O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.35
PRSS1 P07477 6/20 0.35
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
LMNA P02545 1/20 0.32
ITGB3 P05106 5/20 0.31
ITGA2B P08514 5/20 0.31

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
Hydrochloric Acid SCHEMBL9003065 0.99 F2 (0.35) F2PRSS1CPN1CPB2LMNA
SCHEMBL7391071 0.88 TPSAB1 (0.40) F2PRSS1
Hydrochloric Acid SCHEMBL9002664 0.87 TPSAB1 (0.40) F2PRSS1
SCHEMBL7294941 0.84 F2 (0.34) F2PRSS1CPN1CPB2
SCHEMBL7386668 0.83 ITGB3 (0.34) F2PRSS1CPN1CPB2LMNA
Hydrochloric Acid SCHEMBL9002731 0.83 ITGB3 (0.34) F2PRSS1CPN1CPB2LMNA
SCHEMBL9003224 0.83 F2 (0.42) F2PRSS1ITGB3ITGA2B
SCHEMBL7390168 0.83 ACE (0.33) F2PRSS1CPN1CPB2ITGB3
Hydrochloric Acid SCHEMBL9003085 0.82 F2 (0.42) F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9003035 0.82 ACE (0.33) F2PRSS1CPN1CPB2ITGB3

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
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed
EP-0641779-A1 Novel 1-amidinopiperdines and 4-amidinomorpholines as aggregation inhibitions F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed