SCHEMBL6964899

SCHEMBL6964899

O=C(O)Oc1cccnc1N1CCN(CCC=C2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR1A P08908 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARG P37231 1/20 0.36
DRD2 P14416 3/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL6970693 0.89 CCR1 (0.41) HRH1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6960366 0.86 HRH1 (0.44) HRH1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6973725 0.86 HRH1 (0.47) HRH1ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6960538 0.85 HRH1 (0.43) HRH1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6972127 0.81 OPRK1 (0.43) HRH1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6960765 0.81 HRH1 (0.42) HRH1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6964674 0.80 DRD2 (0.48) HTR1ADRD2HTR7
SCHEMBL7473583 0.76 SIGMAR1 (0.43) HRH1SIGMAR1LMNAPMP22PPARG
SCHEMBL6971128 0.75 CCR1 (0.44) HRH1ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL6969045 0.74 CCR1 (0.43) HRH1ADRA1DADRA1AADRA1BHTR1A

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