Sugi Predict

Sugi Predict / Compounds / SCHEMBL9546589

SCHEMBL9546589

SCHEMBL9546589

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 2/20 0.49
▸ CMA1 P23946 4/20 0.48
▸ CTSL P07711 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CAPN1 P07384 2/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CCR5 P51681 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
SCHEMBL9546604 1.00 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546510 0.89 CCR1 (0.54) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546474 0.88 CCR1 (0.54) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546570 0.86 PSEN1 (0.51) CCR1KMT2ACMA1MAPK1
SCHEMBL9546584 0.86 PSEN1 (0.51) CCR1KMT2ACMA1MAPK1
SCHEMBL9546577 0.86 PSEN1 (0.51) CCR1KMT2ACMA1MAPK1
SCHEMBL9546554 0.86 PSEN1 (0.51) CCR1KMT2ACMA1MAPK1
SCHEMBL524203 0.83 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL524204 0.83 CCR1 (0.56) CCR1KMT2AMEN1CMA1CTSL
SCHEMBL9546520 0.83 CCR1 (0.59) 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