SCHEMBL6169489

SCHEMBL6169489

O=C(c1cccnc1)N(Cc1cc(F)cc(F)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.47
MTNR1A P48039 1/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
OPRM1 P35372 1/20 0.47
NSD2 O96028 1/20 0.46
HCRTR1 O43613 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
POLB P06746 1/20 0.41
SLC6A9 P48067 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1I2 O75469 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL6169940 0.82 TDP1 (0.50) GAATSHRALDH1A1POLBHSD17B10
SCHEMBL4738735 0.74 AGER (0.49) AGERMTNR1AGAATSHRALDH1A1
SCHEMBL4737580 0.74 AGER (0.51) AGERMTNR1AGAATSHRALDH1A1
SCHEMBL25911207 0.73 OPRM1 (0.47) AGERMTNR1AOPRM1TSHRALDH1A1
SCHEMBL4738946 0.72 ALDH1A1 (0.43) AGERGAATSHRALDH1A1LMNA
SCHEMBL27978853 0.72 L3MBTL1 (0.59) GAATSHRALDH1A1HSD17B10
SCHEMBL8178807 0.70 TAAR1 (0.42) DPP4DPP9DPP7GAATSHR
SCHEMBL10487075 0.68 ALDH1A1 (0.53) GAAALDH1A1HDAC6
SCHEMBL25668709 0.67 DPP4 (0.46) DPP4DPP9DPP7TSHRALDH1A1
SCHEMBL25668895 0.67 DPP4 (0.43) DPP4DPP9DPP7GAATSHR

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-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed