SCHEMBL9546510

SCHEMBL9546510

CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.54
KMT2A Q03164 4/20 0.52
CCR5 P51681 9/20 0.51
MEN1 O00255 2/20 0.50
CMA1 P23946 1/20 0.47
CTSL P07711 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9546604 0.89 CCR1 (0.56) CCR1KMT2ACCR5MEN1CMA1
SCHEMBL9546589 0.89 CCR1 (0.56) CCR1KMT2ACCR5MEN1CMA1
SCHEMBL9546598 0.87 PSEN1 (0.49) CCR1KMT2ACCR5MAPK1
SCHEMBL9546605 0.87 PSEN1 (0.49) CCR1KMT2ACCR5MAPK1
SCHEMBL9546613 0.87 PSEN1 (0.49) CCR1KMT2ACCR5MAPK1
SCHEMBL9546622 0.87 PSEN1 (0.49) CCR1KMT2ACCR5MAPK1
SCHEMBL9546474 0.84 CCR1 (0.54) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546845 0.83 KMT2A (0.43) CCR1KMT2ACCR5MEN1CMA1
SCHEMBL9546847 0.83 KMT2A (0.43) CCR1KMT2ACCR5MEN1CMA1
SCHEMBL9546842 0.83 KMT2A (0.43) CCR1KMT2ACCR5MEN1CMA1

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed