SCHEMBL1727889

SCHEMBL1727889

CNC(=O)CN(CCCN1CCN(c2ccccc2)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
HTR7 P34969 4/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 1/20 0.50
KCNH2 Q12809 1/20 0.50
OPRM1 P35372 1/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CACNA1G O43497 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL1727882 0.84 DRD2 (0.55) HTR2AHTR2CHTR7DRD2DRD4
SCHEMBL1727831 0.77 FAAH (0.47)
SCHEMBL1728045 0.77 DRD2 (0.52) HTR2AHTR2CHTR7DRD2DRD4
SCHEMBL8273476 0.75 MEN1 (0.64) LMNAGFER
Fumaric Acid SCHEMBL10704726 0.73 KCNH2 (0.52) HTR2AHTR7DRD2DRD4KCNH2
SCHEMBL3054073 0.71 KCNH2 (0.56) HTR7DRD2KCNH2SIGMAR1CYP2D6
SCHEMBL11338189 0.71 HTR1A (0.65) HTR2AHTR2CHTR2BHTR7DRD2
SCHEMBL10678137 0.71 KCNH2 (0.65) HTR2AHTR7DRD2KCNH2OPRM1
SCHEMBL12150894 0.71 HTR1A (0.66) HTR7LMNAHTR1A
SCHEMBL5988317 0.71 KCNH2 (0.88) HTR2ADRD2KCNH2DRD3HTR1A

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