SCHEMBL6960633

SCHEMBL6960633

O=C(O)Oc1cccc(N2CCN(CCC=C3c4ccccc4CCc4ccccc43)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.47
DRD3 P35462 7/20 0.45
HTR1A P08908 4/20 0.45
HTR2A P28223 3/20 0.45
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTR2C P28335 1/20 0.39
DRD1 P21728 3/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL6960377 0.85 HRH1 (0.50) HRH1DRD3HTR1AHTR2AADRA1D
Hydrochloric Acid SCHEMBL6960160 0.84 HRH1 (0.49) HRH1DRD3HTR1AHTR2AADRA1D
SCHEMBL6962085 0.80 HRH1 (0.46) HRH1DRD3HTR1AHTR2AADRA1D
SCHEMBL6965352 0.78 DRD3 (0.58) DRD3HTR1AHTR2AADRA1DADRA1A
SCHEMBL6973725 0.78 HRH1 (0.47) HRH1DRD3HTR1AADRA1DADRA1A
SCHEMBL6970843 0.77 DRD3 (0.58) DRD3HTR1AHTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL6969843 0.76 DRD3 (0.57) DRD3HTR1AHTR2AADRA1DADRA1A
SCHEMBL6960861 0.74 HRH1 (0.53) HRH1DRD3HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL6960646 0.73 HRH1 (0.52) HRH1DRD3HTR1AADRA1DADRA1A
SCHEMBL6963499 0.72 HRH1 (0.49) HRH1DRD3ADRA1DADRA1AADRA1B

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-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP claimed