SCHEMBL1729972

SCHEMBL1729972

CNC(CN(CC=O)C(=O)O)C1CCN(c2cncc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
CYP11B1 P15538 8/20 0.41
CDK8 P49336 2/20 0.39
CYP46A1 Q9Y6A2 4/20 0.38
PHGDH O43175 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
XIAP P98170 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1727929 0.82 HRH4 (0.42) PHGDHDPP4DPP7
SCHEMBL1730156 0.82 DRD2 (0.41)
SCHEMBL1729264 0.81 HTR3A (0.41)
SCHEMBL1730195 0.80 HCAR2 (0.46) DPP4DPP7HCRTR1HCRTR2
SCHEMBL1728165 0.80 KDM4E (0.45)
SCHEMBL1730128 0.79 HTR3A (0.43)
SCHEMBL1727921 0.78 KDM4E (0.43)
SCHEMBL1727724 0.78 HSD11B1 (0.40)
SCHEMBL1728682 0.77 ACACB (0.40)
SCHEMBL1727875 0.76 ACACB (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed