SCHEMBL7080576

SCHEMBL7080576

CN1C(=O)N(CCCN2CCC(c3ccccn3)CC2)CC1(C(N)=O)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.46
DRD4 P21917 11/20 0.42
DRD2 P14416 9/20 0.42
DRD3 P35462 6/20 0.42
ADRA1D P25100 5/20 0.41
ADRA1B P35368 5/20 0.41
HSD11B1 P28845 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
SCHEMBL6962974 0.75 ADRA1A (0.50) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL7080575 0.74 ADRA1A (0.48) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL6196064 0.68 DRD4 (0.52) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL7212047 0.67 ADRA1A (0.60) ADRA1AADRA1DADRA1B
Cadaverine Tartrate SCHEMBL7640622 0.67 ADRA1A (0.53) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL7212038 0.67 DRD4 (0.59) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL8142705 0.67 ADRA1A (0.53) ADRA1ADRD4DRD2DRD3ADRA1D
Hydrochloric Acid SCHEMBL8181520 0.67 DRD4 (0.51) ADRA1ADRD4DRD2DRD3ADRA1D
Hydrochloric Acid SCHEMBL7660487 0.67 DRD4 (0.51) ADRA1ADRD4DRD2DRD3ADRA1D
SCHEMBL7218158 0.66 ADRA1A (0.47) ADRA1ADRD4DRD2DRD3ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed