SCHEMBL6168501

SCHEMBL6168501

NC(Cc1ccc(F)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.44
DPP9 Q86TI2 11/20 0.44
DPP7 Q9UHL4 10/20 0.44
DPP8 Q6V1X1 7/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
TRPA1 O75762 1/20 0.40
CPA1 P15085 1/20 0.40

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
SCHEMBL2469254 0.79 EPHX1 (0.54) DPP4DPP9DPP7DPP8
Ammonia Solution, Strong SCHEMBL16268928 0.78 EPHX1 (0.52) DPP4DPP9DPP7DPP8
SCHEMBL27578791 0.76 DPP4 (0.43) DPP4DPP9DPP7DPP8LOXL2
SCHEMBL7426334 0.76 TRPA1 (0.44) DPP4DPP9DPP7DPP8TRPA1
SCHEMBL8910672 0.75 TRPA1 (0.41) DPP4DPP9DPP7DPP8LOXL2
SCHEMBL10821633 0.74 DPP4 (0.40) DPP4DPP9DPP7DPP8CPA1
SCHEMBL3191528 0.73 SLC6A4 (0.58) DPP4DPP7LOXL2TRPA1
SCHEMBL3674133 0.73 LOXL2 (0.52) DPP4DPP7LOXL2TRPA1CPA1
SCHEMBL8492336 0.73 LOXL2 (0.50) DPP4DPP9DPP7DPP8LOXL2
SCHEMBL3285405 0.72 EPHX1 (0.50) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed