SCHEMBL6558957

SCHEMBL6558957

CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ncccc2o1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.38
DAGLA Q9Y4D2 9/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
CES1 P23141 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6560446 0.88 CTSS (0.36) KMT2A
SCHEMBL6559638 0.86 ELANE (0.34)
SCHEMBL6559309 0.82 SMN1; SMN2 (0.35) HPGDTP53
SCHEMBL6560414 0.82 PSMB5 (0.32)
SCHEMBL6559677 0.81 FAAH (0.34) FAAH
SCHEMBL6559652 0.72 PDF (0.32)
SCHEMBL6559238 0.71 MMP1 (0.36)
SCHEMBL6558487 0.71 PDF (0.32)
SCHEMBL6558834 0.71 MMP2 (0.43)
SCHEMBL6558471 0.71 CTSB (0.49)

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
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP claimed