SCHEMBL4483087

SCHEMBL4483087

CN(C)C(=O)Oc1cccc([C@@H](CCOc2ccc([N+](=O)[O-])cc2)N(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.61
SLC6A4 P31645 3/20 0.61
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL4486602 1.00 ACHE (0.61) ACHESLC6A4GAAMEN1KMT2A
SCHEMBL3870086 1.00 ACHE (0.61) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3868021 0.99 ACHE (0.60) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3865954 0.99 ACHE (0.60) ACHESLC6A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3865951 0.99 ACHE (0.60) ACHESLC6A4GAAMEN1KMT2A
SCHEMBL3865577 0.88 ACHE (0.73) ACHESLC6A4GAAMAPTCRHBP
Hydrochloric Acid SCHEMBL3863868 0.87 ACHE (0.72) ACHESLC6A4GAAMAPTCRHBP
Hydrochloric Acid SCHEMBL3863862 0.87 ACHE (0.72) ACHESLC6A4GAAMAPTCRHBP
Hydrochloric Acid SCHEMBL3870736 0.87 ACHE (0.72) ACHESLC6A4GAAMAPTCRHBP
SCHEMBL3867159 0.87 ACHE (0.81) ACHESLC6A4GAAMEN1KMT2A

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