SCHEMBL8867025

SCHEMBL8867025

CC(C)(C)OC(=O)C(N)C1CCc2nc(-c3cccc(C(=O)O)c3)cn2C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 15/20 0.44
▸ LDHA P00338 1/20 0.39
▸ LDHB P07195 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ TRPC1 P48995 1/20 0.36
▸ TRPC3 Q13507 1/20 0.36
▸ STIM1 Q13586 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.36

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
SCHEMBL8866516 0.90 WDR5 (0.40) WDR5USP30DPP4DPP7
SCHEMBL8866821 0.86 WDR5 (0.45) WDR5LDHALDHBUSP30DPP4
SCHEMBL8866827 0.85 WDR5 (0.41) WDR5USP30
SCHEMBL8867021 0.78 ACACB (0.50) WDR5
SCHEMBL8867053 0.77 NPC1 (0.38) WDR5
SCHEMBL8866091 0.76 WDR5 (0.40) WDR5DPP4DPP7
SCHEMBL8866724 0.72 WDR5 (0.42) WDR5
SCHEMBL8866347 0.71 RAB9A (0.46) —
SCHEMBL8866813 0.69 ACACB (0.51) WDR5
SCHEMBL8866424 0.69 ALDH1A1 (0.46) —

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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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