SCHEMBL5505896

SCHEMBL5505896

Nc1ccc(-c2ccc(CC3CCCC(N4CCCC4=O)C3)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.39
MTOR P42345 9/20 0.36
FKBP1A P62942 1/20 0.35
FKBP1B P68106 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
CD38 P28907 1/20 0.34
INPPL1 O15357 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL5506470 0.92 NPY5R (0.40) NPY5RCD38PIK3CACNR2
SCHEMBL5509832 0.89 NPY5R (0.41) NPY5RMTORCD38
Hydrochloric Acid SCHEMBL5506013 0.88 NPY5R (0.40) NPY5RMTORCD38
SCHEMBL5500238 0.86 DPP4 (0.41) NPY5RMTORATMPIK3CDPIK3CA
SCHEMBL5506141 0.86 CD38 (0.35) NPY5RCD38DPP4DPP8DPP9
SCHEMBL5499996 0.85 CNR1 (0.38)
SCHEMBL5504552 0.85 NPY5R (0.34) NPY5RCD38DPP4DPP8DPP9
SCHEMBL5506180 0.85 AAK1 (0.34) NPY5RCD38DPP4DPP8DPP9
SCHEMBL5504232 0.84 CTSS (0.36) NPY5RCNR2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5504549 0.84 CNR1 (0.38)

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed