SCHEMBL19943848

SCHEMBL19943848

CC(NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CCOC=O)C(=O)N1C[C@H](C)CC1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.32
▸ ACE P12821 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ GRB2 P62993 1/20 0.32
▸ CAPN1 P07384 2/20 0.32
▸ CTSB P07858 1/20 0.31

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
SCHEMBL24590897 1.00 F2 (0.32) F2ACEPLGPLATGRB2
SCHEMBL20611442 0.90 ACE (0.34) ACECAPN1CTSB
SCHEMBL20612266 0.86 PLG (0.32) F2ACEPLGPLATGRB2
SCHEMBL19943880 0.86 PLG (0.32) F2ACEPLGPLATGRB2
SCHEMBL20611525 0.84 ACE (0.36) ACECAPN1
SCHEMBL24590826 0.83 PDE9A (0.30) PLGPLAT
SCHEMBL24590886 0.81 ACE (0.35) ACEPLGPLAT
SCHEMBL20611651 0.78 PLG (0.30) ACEPLGPLAT
SCHEMBL20611507 0.77 PEPD (0.42) F2PLGGRB2CAPN1
SCHEMBL19943549 0.76 PDE9A (0.34) CAPN1CTSB

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
WO-2018045313-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-03-08 — — WO disclosed
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