SCHEMBL27809406

SCHEMBL27809406

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.55
REN P00797 1/20 0.54
RAMP1 O60894 1/20 0.53
CALCRL Q16602 1/20 0.53
PREP P48147 2/20 0.53
CTRB1 P17538 1/20 0.51
ELANE P08246 1/20 0.51
PSMB9 P28065 1/20 0.49
CMA1 P23946 3/20 0.49
SLC6A2 P23975 1/20 0.48

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
SCHEMBL2248715 0.98 ACE (0.53) ACERENRAMP1CALCRLPREP
SCHEMBL2248710 0.98 ACE (0.53) ACERENRAMP1CALCRLPREP
Carbon Dioxide SCHEMBL2250507 0.98 PREP (0.53) ACERENRAMP1CALCRLPREP
SCHEMBL2252316 0.94 REN (0.49) ACERENRAMP1CALCRLPREP
SCHEMBL2252313 0.94 REN (0.49) ACERENRAMP1CALCRLPREP
SCHEMBL13706598 0.93 ACE (0.53) ACERENRAMP1CALCRLPREP
SCHEMBL27809460 0.92 ACE (0.57) ACERAMP1CALCRLPREPCTRB1
SCHEMBL8259265 0.90 ACE (0.51) ACERENRAMP1CALCRLPREP
Carbon Dioxide SCHEMBL2247895 0.90 PREP (0.55) ACERAMP1CALCRLPREPCTRB1
SCHEMBL2249471 0.90 ACE (0.55) ACERAMP1CALCRLPREPCTRB1

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
CN-102083499-B II type anti-CD 20 antibodies and the conjoint therapy of proteasome inhibitor ROCHE GLYCART AG (CH) 2016-12-14 CN disclosed
CN-102083499-A Combination therapy of a type II anti-CD20 antibody with a proteasome inhibitor HOFFMANN LA ROCHE 2011-06-01 CN disclosed