SCHEMBL1730128

SCHEMBL1730128

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
CNR2 P34972 5/20 0.42
AKR1C3 P42330 1/20 0.41
CNR1 P21554 2/20 0.40
CHRM4 P08173 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1729271 0.86 AKR1C3 (0.43) HTR3ADRD3DRD2CNR2AKR1C3
SCHEMBL1730195 0.86 HCAR2 (0.46) HTR3ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1729264 0.84 HTR3A (0.41) HTR3A
SCHEMBL1728165 0.83 KDM4E (0.45) HTR3ADRD3DRD2RAB9ALMNA
SCHEMBL1728140 0.81 ABL1 (0.35) CNR2CNR1CHRM4TRPV1
SCHEMBL1727921 0.79 KDM4E (0.43) DRD2HTR2ALMNATSHRHSD17B10
SCHEMBL1730156 0.79 DRD2 (0.41) DRD3DRD2HTR2AHTR2CMEN1
SCHEMBL1727929 0.79 HRH4 (0.42) DRD3DRD2HTR2C
SCHEMBL1729972 0.79 CYP11B2 (0.41)
SCHEMBL1728881 0.79 HCAR2 (0.36) ALDH1A1

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