SCHEMBL7395152

SCHEMBL7395152

COCC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)C(=O)N(CCNC(=O)c1cnccn1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.40
IL2RA P01589 1/20 0.36
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
Acetic Acid SCHEMBL9003102 0.98 F2 (0.39) F2IL2RAALBIL2KMT2A
SCHEMBL7395320 0.94 F2 (0.39) F2IL2RAALBIL2KMT2A
Acetic Acid SCHEMBL9002747 0.92 F2 (0.38) F2IL2RAALBIL2ALDH1A1
SCHEMBL9002970 0.91 F2 (0.40) F2IL2RAALBIL2ALDH1A1
SCHEMBL7396104 0.91 F2 (0.45) F2IL2RAALBIL2KMT2A
Hydrochloric Acid SCHEMBL9002899 0.91 F2 (0.41) F2
SCHEMBL7395161 0.91 F2 (0.40) F2IL2RAALBIL2
Acetic Acid SCHEMBL9002876 0.90 F2 (0.44) F2IL2RAALBIL2KMT2A
Hydrochloric Acid SCHEMBL9002957 0.90 F2 (0.40) F2IL2RA
SCHEMBL7387444 0.89 F2 (0.40) 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