SCHEMBL1729271

SCHEMBL1729271

NC(CN(CC=O)C(=O)O)C1CCN(c2cnc3ccccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
HTR3A P46098 1/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
CNR2 P34972 7/20 0.41
DHFR P00374 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CNR1 P21554 4/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
FAAH O00519 1/20 0.38
CFTR P13569 1/20 0.38
CHRM4 P08173 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
HTR1A P08908 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL1730128 0.86 HTR3A (0.43) AKR1C3HTR3ADRD3DRD2CNR2
SCHEMBL1729040 0.85 HCAR2 (0.46) HTR3ADPP4DPP8DPP9DPP7
SCHEMBL1730251 0.83 DPP4 (0.42) HTR3ADPP4DPP8DPP9DPP7
SCHEMBL1727957 0.82 KDM4E (0.45) HTR3AHTR2CHTR1ADPP4DPP8
SCHEMBL1727576 0.80 ABL1 (0.35) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL1729122 0.78 AKT1 (0.44) DRD3DRD2HTR2AHTR2CHTR1A
SCHEMBL1730013 0.78 MAPK1 (0.48) DPP4
SCHEMBL1727608 0.78 LMNA (0.50)
SCHEMBL1729389 0.78 DPP4 (0.43) DRD3DRD2HTR2CDPP4DPP7
SCHEMBL1727936 0.78 MAPT (0.48) HTR3A

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