SCHEMBL7303613

SCHEMBL7303613

CC(C)(C)OC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)CC1(OC=O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.38
CTSL P07711 5/20 0.34
CTSB P07858 5/20 0.34
CTSK P43235 3/20 0.34
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CTSS P25774 2/20 0.33
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HCRTR1 O43613 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
ATM Q13315 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
SCHEMBL9753806 1.00 AKT1 (0.38) AKT1CTSLCTSBCTSKALDH1A1
Hydrochloric Acid SCHEMBL9753576 0.99 AKT1 (0.37) AKT1CTSLCTSBCTSKALDH1A1
SCHEMBL7292686 0.84 AKT1 (0.40) AKT1CTSLCTSBALDH1A1PSEN1
SCHEMBL9753802 0.84 AKT1 (0.40) AKT1CTSLCTSBALDH1A1PSEN1
Hydrochloric Acid SCHEMBL7292680 0.83 AKT1 (0.39) AKT1CTSLCTSBALDH1A1PSEN1
Hydrochloric Acid SCHEMBL9337171 0.83 AKT1 (0.39) AKT1CTSLCTSBALDH1A1PSEN1
SCHEMBL27349988 0.81 AKT1 (0.41) AKT1CTSLCTSBALDH1A1PSEN1
SCHEMBL7412656 0.80 L3MBTL1 (0.39) CTSLCTSBCTSKCTSS
SCHEMBL7364030 0.79 SYK (0.48) CTSLCTSBCTSKALDH1A1CTSS
SCHEMBL7368347 0.76

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-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP disclosed
EP-0358398-B1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1993-03-10 EP disclosed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO disclosed
US-4975444-A INHIBITORS OF ANGIORENSIN-CONVERTING ENZYME AS WELL AS A ENDOPEPTIDASE; CARDIOTONIC AGENTS; GLAUCOMA; DIURETICS PFIZER INC. (US) 1990-12-04 US disclosed
EP-0358398-A1 Cycloalkyl-substituted glutaramide antihypertensive agents Pfizer Limited (GB) 1990-03-14 EP disclosed