SCHEMBL6973725

SCHEMBL6973725

O=C(O)Oc1cccnc1N1CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.47
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 2/20 0.41
DRD3 P35462 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 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
SCHEMBL6960765 0.89 HRH1 (0.42) HRH1SIGMAR1HTR1ADRD3HRH3
SCHEMBL6964899 0.86 HRH1 (0.40) HRH1SIGMAR1HTR1ADRD2ADRA1D
SCHEMBL6963499 0.85 HRH1 (0.49) HRH1DRD3HRH3DRD1ADRA1D
Hydrochloric Acid SCHEMBL6970215 0.84 HRH1 (0.49) HRH1DRD3HRH3DRD1ADRA1D
SCHEMBL6963659 0.80 HRH1 (0.45) HRH1DRD3HRH3DRD2DRD1
SCHEMBL6970693 0.79 CCR1 (0.41) HRH1HTR1ADRD3DRD2ADRA1D
SCHEMBL6965928 0.78 DRD2 (0.59) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL6965751 0.78 HSD11B1 (0.55) SIGMAR1
SCHEMBL6960633 0.78 HRH1 (0.47) HRH1SIGMAR1HTR1ADRD3HRH3
Hydrochloric Acid SCHEMBL6972143 0.78 DRD2 (0.58) DRD3DRD2ADRA1DADRA1AADRA1B

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