SCHEMBL7389448

SCHEMBL7389448

N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N[C@@H](CO)C(=O)O)C1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.77

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 SCHEMBL9002778 0.99 F2 (0.77) F2
SCHEMBL7306955 0.94 F2 (0.79) F2
SCHEMBL8947858 0.93 F2 (0.73) F2
SCHEMBL7303675 0.93 F2 (0.73) F2
SCHEMBL7297735 0.93 F2 (0.73) F2
Acetic Acid SCHEMBL8947739 0.92 F2 (0.76) F2
SCHEMBL7309723 0.91 F2 (0.74) F2
Acetic Acid SCHEMBL8947744 0.91 F2 (0.74) F2
Acetic Acid SCHEMBL8947749 0.91 F2 (0.74) F2
SCHEMBL9003195 0.90 F2 (0.79) 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