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SCHEMBL3815534

SCHEMBL3815534

CC(C)N1CCC(Oc2cc3oc(C(=O)N4CCN(C(=O)O)CC4)c(-c4ccccc4)c3cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ UTS2R Q9UKP6 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HRH3 Q9Y5N1 9/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 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
SCHEMBL3643345 0.93 UTS2R (0.40) ATMUTS2RMAPK1HRH3ALDH1A1
SCHEMBL3647355 0.91 HRH3 (0.45) ATMUTS2RMAPK1HRH3
SCHEMBL3808822 0.87 HRH3 (0.40) HRH3
SCHEMBL3814095 0.87 MEN1 (0.40) ATMMAPK1HRH3ALDH1A1
SCHEMBL3814183 0.86 MAPK1 (0.51) ATMUTS2RMAPK1HRH3ALDH1A1
SCHEMBL3647308 0.85 UTS2R (0.41) UTS2RHRH3
SCHEMBL3646727 0.84 HRH3 (0.45) UTS2RHRH3
SCHEMBL3647988 0.83 HRH3 (0.42) ATMMAPK1HRH3ALDH1A1
SCHEMBL4017237 0.83 HRH3 (0.44) UTS2RHRH3
SCHEMBL4017683 0.82 HRH3 (0.46) ATMMAPK1HRH3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183237-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
WO-2009013195-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — WO disclosed