SCHEMBL4005579

SCHEMBL4005579

Cc1csc(OCC[C@H]2c3ccc(OC(=O)N(C)C)cc3C=CCN2C)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.68
SLC6A4 P31645 2/20 0.68
BCHE P06276 1/20 0.33
RAB9A P51151 1/20 0.31

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
SCHEMBL4007718 1.00 ACHE (0.68) ACHESLC6A4BCHERAB9A
SCHEMBL4012424 1.00 ACHE (0.68) ACHESLC6A4BCHERAB9A
Hydrochloric Acid SCHEMBL3868618 0.99 ACHE (0.67) ACHESLC6A4BCHE
Hydrochloric Acid SCHEMBL3873758 0.99 ACHE (0.67) ACHESLC6A4BCHE
Hydrochloric Acid SCHEMBL3864658 0.99 ACHE (0.67) ACHESLC6A4BCHE
SCHEMBL3865231 0.86 ACHE (0.51) ACHESLC6A4BCHE
SCHEMBL4005576 0.83 ACHE (0.76) ACHESLC6A4BCHERAB9A
SCHEMBL4007712 0.83 ACHE (0.76) ACHESLC6A4BCHERAB9A
SCHEMBL4012422 0.83 ACHE (0.76) ACHESLC6A4BCHERAB9A
SCHEMBL4012427 0.82 ACHE (0.70) ACHESLC6A4RAB9A

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