SCHEMBL9002970

SCHEMBL9002970

CN(C)CC(=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 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.40
PSMB5 P28074 2/20 0.34
PRSS1 P07477 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IL2RA P01589 1/20 0.33
ALB P02768 1/20 0.33
IL2 P60568 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
Hydrochloric Acid SCHEMBL9002899 0.99 F2 (0.41) F2PSMB5PRSS1
SCHEMBL7395161 0.94 F2 (0.40) F2PSMB5IL2RAALBIL2
Hydrochloric Acid SCHEMBL9002957 0.93 F2 (0.40) F2PSMB5IL2RA
SCHEMBL7395152 0.91 F2 (0.40) F2ALDH1A1IL2RAALBIL2
SCHEMBL7395320 0.91 F2 (0.39) F2ALDH1A1IL2RAALBIL2
Acetic Acid SCHEMBL9003102 0.89 F2 (0.39) F2PSMB5PRSS1ALDH1A1IL2RA
SCHEMBL7387444 0.89 F2 (0.40) F2PRSS1
Acetic Acid SCHEMBL9002747 0.89 F2 (0.38) F2PSMB5PRSS1ALDH1A1IL2RA
SCHEMBL7391764 0.89 F2 (0.40) F2PRSS1
SCHEMBL9002975 0.89 PSMB5 (0.33) F2PSMB5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed