SCHEMBL6960765

SCHEMBL6960765

O=C(O)Oc1cccnc1N1CCN(CCC=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.42
ADRA1A P35348 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ADRA2A P08913 3/20 0.42
CYP2D6 P10635 3/20 0.42
DRD2 P14416 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
DRD3 P35462 3/20 0.42
OPRK1 P41145 3/20 0.42
HTR2B P41595 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 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
SCHEMBL6973725 0.89 HRH1 (0.47) HRH1ADRA1ADRD2DRD3HRH3
SCHEMBL6971617 0.87 HRH1 (0.44) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL6972798 0.86 LMNA (0.45) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
SCHEMBL6960271 0.83 ALDH1A1 (0.42) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
SCHEMBL6964899 0.81 HRH1 (0.40) HRH1ADRA1AADRA2ADRD2ADRA2B
SCHEMBL6964805 0.78 LMNA (0.42) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
SCHEMBL6964808 0.78 LMNA (0.42) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
SCHEMBL6963393 0.77 SIGMAR1 (0.50) HRH1ADRA1AALDH1A1ADRA2ACYP2D6
SCHEMBL6955707 0.77 DRD2 (0.37) ALDH1A1DRD2HTR2ADRD3LMNA
SCHEMBL6963499 0.74 HRH1 (0.49) HRH1ADRA1ADRD3HRH3KMT2A

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