SCHEMBL9528897

SCHEMBL9528897

COc1ccccc1N1CCN(CCNc2cnn(CCO)c(=O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.55
ADRA1A P35348 7/20 0.55
ADRA1D P25100 4/20 0.55
ADRA1B P35368 4/20 0.55
DRD4 P21917 4/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
HRH1 P35367 2/20 0.55
HTR2B P41595 2/20 0.55
HTR2A P28223 2/20 0.55
HRH2 P25021 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR7 P34969 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD2 P14416 6/20 0.51
DRD3 P35462 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL9531782 0.89 HTR1A (0.53) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9527896 0.87 HTR1A (0.62) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9526837 0.86 HTR1A (0.58) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9528433 0.84 HTR1A (0.55) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9528291 0.82 HTR1A (0.63) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9527012 0.81 HTR1A (0.56) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9531342 0.81 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9527638 0.80 HTR1A (0.61) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9527444 0.80 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9526846 0.78 ADRA1D (0.56) HTR1AADRA1AADRA1DADRA1BDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed