SCHEMBL19281138

SCHEMBL19281138

CC(=O)CNCCCNC(=O)c1ccc(N2CCN(c3ccccc3C)CC2)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
DRD3 P35462 6/20 0.55
ADRA1A P35348 5/20 0.55
FSHR P23945 5/20 0.47
NPC1 O15118 1/20 0.43
DRD4 P21917 3/20 0.43
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL14633951 0.88 DRD2 (0.61) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL19291178 0.87 DRD2 (0.59) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14634038 0.87 DRD2 (0.59) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14634003 0.87 DRD2 (0.59) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14634064 0.86 DRD2 (0.56) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14633906 0.86 DRD2 (0.61) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14634014 0.85 DRD2 (0.56) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14633918 0.85 DRD2 (0.56) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14633515 0.84 DRD2 (0.56) DRD2DRD3ADRA1AFSHRNPC1
SCHEMBL14633895 0.83 DRD2 (0.54) DRD2DRD3ADRA1AFSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263568-A1 BENZAMIDES Merck Patent GmbH (DE) 2018-01-03 EP disclosed
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed