SCHEMBL7393274

SCHEMBL7393274

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.33
BCHE P06276 4/20 0.32
ACHE P22303 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 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
Hydrochloric Acid SCHEMBL7391393 0.99 F2 (0.34) F2BCHEACHEITGB3ITGA2B
SCHEMBL7436492 0.92 F2 (0.37) F2BCHE
Hydrochloric Acid SCHEMBL7395611 0.92 F2 (0.38) F2BCHE
SCHEMBL7391077 0.88 CHRNB2 (0.39) F2
Hydrochloric Acid SCHEMBL7389332 0.88 CHRNB2 (0.39) F2
SCHEMBL9003224 0.86 F2 (0.42) F2BCHEITGB3ITGA2B
SCHEMBL7294950 0.86 F2 (0.37) F2
SCHEMBL9002756 0.85 F2 (0.34) F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9003085 0.85 F2 (0.42) F2ITGB3ITGA2B
SCHEMBL9002719 0.85 F2 (0.34) F2

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