SCHEMBL1728039

SCHEMBL1728039

NC(CN(CC=O)C(=O)O)C1CCN(c2cc(-c3ccccc3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
OPRD1 P41143 4/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
ITGB2 P05107 6/20 0.38
ICAM1 P05362 6/20 0.38
ITGAL P20701 6/20 0.38
COMT P21964 1/20 0.35
CKS1B P61024 5/20 0.35
SKP1 P63208 5/20 0.35
SKP2 Q13309 5/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL1727744 0.86 RXRA (0.43) RXRAOPRD1ITGB2ICAM1ITGAL
SCHEMBL1728013 0.84 FFAR4 (0.50) OPRD1DPP4DPP7
SCHEMBL1727570 0.83 CNR1 (0.39) COMTCKS1BSKP1SKP2PKM
SCHEMBL1730251 0.83 DPP4 (0.42) DPP4DPP8DPP9DPP7CKS1B
SCHEMBL1727654 0.82 NPC1 (0.42)
SCHEMBL1729204 0.81 KDM4E (0.44) DPP4DPP8DPP9DPP7
SCHEMBL1729228 0.81 KMT2A (0.36) DPP4DPP8DPP9DPP7
SCHEMBL1729040 0.80 HCAR2 (0.46) DPP4DPP8DPP9DPP7CKS1B
SCHEMBL1729389 0.79 DPP4 (0.43) DPP4DPP7
SCHEMBL1729122 0.79 AKT1 (0.44) 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 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