SCHEMBL4469332

SCHEMBL4469332

CN[C@@H](CCOc1ccc([N+](=O)[O-])cc1)c1cccc(OC(=O)N(C)C)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.81
SLC6A4 P31645 3/20 0.81
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3867159 1.00 ACHE (0.81) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3864573 0.99 ACHE (0.80) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3874812 0.99 ACHE (0.80) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3864565 0.99 ACHE (0.80) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3874459 0.91 ACHE (0.67) ACHESLC6A4GAA
SCHEMBL3864612 0.90 ACHE (1.00) ACHESLC6A4GAA
SCHEMBL2403549 0.90 ACHE (1.00) ACHESLC6A4GAA
SCHEMBL2403545 0.90 ACHE (1.00) ACHESLC6A4GAA
Hydrochloric Acid SCHEMBL3873759 0.89 ACHE (0.98) ACHESLC6A4GAA
Hydrochloric Acid SCHEMBL3863985 0.89 ACHE (0.98) ACHESLC6A4GAA

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-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US claimed