SCHEMBL4012422

SCHEMBL4012422

CSc1ccc(OCC[C@@H]2c3ccc(OC(=O)N(C)C)cc3C=CCN2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.76
SLC6A4 P31645 2/20 0.76
BCHE P06276 2/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4005576 1.00 ACHE (0.76) ACHESLC6A4BCHEHRH2HRH1
SCHEMBL4007712 1.00 ACHE (0.76) ACHESLC6A4BCHEHRH2HRH1
Hydrochloric Acid SCHEMBL3864656 0.99 ACHE (0.75) ACHESLC6A4BCHE
Hydrochloric Acid SCHEMBL3873753 0.99 ACHE (0.75) ACHESLC6A4BCHE
Hydrochloric Acid SCHEMBL3868611 0.99 ACHE (0.75) ACHESLC6A4BCHE
SCHEMBL4006173 0.86 ACHE (1.00) ACHESLC6A4
SCHEMBL3863710 0.86 ACHE (1.00) ACHESLC6A4
SCHEMBL4006172 0.86 ACHE (1.00) ACHESLC6A4
Hydrochloric Acid SCHEMBL3863725 0.86 ACHE (0.98) ACHESLC6A4
Hydrochloric Acid SCHEMBL4178037 0.86 ACHE (0.98) ACHESLC6A4

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-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US claimed