SCHEMBL9546474

SCHEMBL9546474

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.48
CMA1 P23946 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.45
CAPN1 P07384 2/20 0.45
LIMK2 P53671 1/20 0.44

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
SCHEMBL9546589 0.88 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546604 0.88 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546617 0.87 PSEN1 (0.49) CCR1KMT2AMAPK1
SCHEMBL9546631 0.87 PSEN1 (0.49) CCR1KMT2AMAPK1
SCHEMBL9546603 0.87 PSEN1 (0.49) CCR1KMT2AMAPK1
SCHEMBL9546611 0.87 PSEN1 (0.49) CCR1KMT2AMAPK1
SCHEMBL9546520 0.85 CCR1 (0.59) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546510 0.84 CCR1 (0.54) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL5868057 0.82 LIMK2 (0.58) KMT2AMEN1LIMK2
SCHEMBL524203 0.81 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL

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