SCHEMBL20986949

SCHEMBL20986949

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N1C(=O)N(C2CCCCC2)C[C@H]1C(=O)NCc1nn[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GZMB P10144 2/20 0.38
CMA1 P23946 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KMT2A Q03164 1/20 0.36
REN P00797 14/20 0.35

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
SCHEMBL20701984 0.90 GZMB (0.39) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701989 0.90 GZMB (0.39) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701987 0.90 GZMB (0.39) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701589 0.90 GZMB (0.38) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701584 0.90 GZMB (0.38) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701586 0.90 GZMB (0.38) GZMBCMA1ITGB3ITGA2BKMT2A
SCHEMBL20701811 0.87 ACE (0.41) CMA1ITGB3ITGA2BKMT2AREN
SCHEMBL20701812 0.87 ACE (0.41) CMA1ITGB3ITGA2BKMT2AREN
SCHEMBL20701808 0.87 ACE (0.41) CMA1ITGB3ITGA2BKMT2AREN
SCHEMBL19182515 0.84 GZMB (0.40) GZMBCMA1KMT2AREN

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-20190151484-A2 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2019-05-23 US disclosed