SCHEMBL7388356

SCHEMBL7388356

CN(C(=O)C[C@H](NC(=O)Cc1ccccc1)C(=O)N(CC(=O)O)C1CC1)[C@H]1CCCN(C(=N)N)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL2RA P01589 1/20 0.41
ALB P02768 1/20 0.41
IL2 P60568 1/20 0.41
F2 P00734 6/20 0.38
CCR5 P51681 1/20 0.37
F10 P00742 1/20 0.37
EED O75530 1/20 0.37
KMT2A Q03164 3/20 0.36
PRSS1 P07477 1/20 0.36
CCR1 P32246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
TMPRSS2 O15393 1/20 0.36

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
SCHEMBL7390912 0.89 GAA (0.40) IL2RAALBIL2F2CCR5
SCHEMBL7394950 0.88 KMT2A (0.38) IL2RAALBIL2KMT2ACCR1
Hydrochloric Acid SCHEMBL9003252 0.88 GAA (0.40) IL2RAALBIL2F2CCR5
SCHEMBL7397245 0.88 CASP1 (0.41) IL2RAALBIL2F10PRSS1
Hydrochloric Acid SCHEMBL9003087 0.88 KMT2A (0.37) IL2RAALBIL2KMT2ACCR1
Hydrochloric Acid SCHEMBL9002984 0.87 CASP1 (0.41) IL2RAALBIL2F10PRSS1
SCHEMBL7392735 0.87 KMT2A (0.40) IL2RAALBIL2CCR5F10
Hydrochloric Acid SCHEMBL9002527 0.86 KMT2A (0.40) IL2RAALBIL2F2CCR5
SCHEMBL7386668 0.84 ITGB3 (0.34) IL2RAALBIL2F2PRSS1
SCHEMBL9003091 0.84 F2 (0.53) IL2RAALBIL2F2

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