SCHEMBL631885

SCHEMBL631885

O=C(NC(c1ccccc1)C12CCC(CC1)N2)c1ccccc1CCCl

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.59
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
SLC6A5 Q9Y345 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
SCHEMBL631883 0.84 SLC6A9 (0.64) SLC6A9CREBBPBRD4
SCHEMBL2605383 0.81 SLC6A9 (0.64) SLC6A9
SCHEMBL2605261 0.79 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL2123535 0.78 SLC6A9 (0.73) SLC6A9SLC6A5
SCHEMBL2605382 0.76 SLC6A9 (0.62) SLC6A9
SCHEMBL2605184 0.74 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL2605303 0.74 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL2605270 0.74 SLC6A9 (0.64) SLC6A9
SCHEMBL2605256 0.74 SLC6A9 (0.67) SLC6A9SLC6A5
SCHEMBL2605269 0.72 SLC6A9 (0.61) SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419431-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-22 EP claimed
WO-2010119222-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 WO claimed
EP-2419431-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-22 EP disclosed
WO-2010119222-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 WO disclosed