SCHEMBL632289

SCHEMBL632289

NC(c1ccccc1)C12CCC(CC1)N2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
OPRK1 P41145 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL2123914 0.78 SLC6A9 (0.49) SLC6A9OPRK1DRD2DRD3
Hydrochloric Acid SCHEMBL2125223 0.76 SLC6A9 (0.48) SLC6A9OPRK1DRD2DRD3
SCHEMBL381168 0.73 SLC6A9 (0.40) SLC6A9OPRK1
SCHEMBL12881261 0.72 DPP4 (0.41) OPRK1DRD2DRD4DRD3
SCHEMBL168288 0.70 SIGMAR1 (0.38) OPRK1DRD2DRD4DRD3
SCHEMBL12881251 0.69 CYP3A4 (0.36) OPRK1
SCHEMBL771596 0.69 CYP3A4 (0.41) OPRK1DRD2DRD4DRD3
SCHEMBL7808275 0.69 SIGMAR1 (0.40) OPRK1DRD2DRD4DRD3
SCHEMBL4186582 0.69 SLC6A9 (0.51) SLC6A9
SCHEMBL3708922 0.69 SLC6A9 (0.51) SLC6A9

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-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