SCHEMBL9527012

SCHEMBL9527012

COc1ccccc1N1CCN(CCNc2c(Cl)cnn(CCO)c2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.56
ADRA1A P35348 8/20 0.56
ADRA1D P25100 7/20 0.56
ADRA1B P35368 7/20 0.56
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD4 P21917 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 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
SCHEMBL9763518 0.89 HTR1A (0.52) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9526736 0.88 ADRA1A (0.62) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9527540 0.84 ADRA1A (0.54) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9527444 0.84 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9526823 0.82 HTR1A (0.64) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9527725 0.81 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9528897 0.81 HTR1A (0.55) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9527250 0.81 HTR1A (0.59) HTR1AADRA1AADRA1DADRA1BADRA2A
SCHEMBL9532414 0.80 ADRA1A (0.55) HTR1AADRA1AADRA1DADRA1BDRD4
SCHEMBL9527339 0.79 HTR1A (0.66) HTR1AADRA1AADRA1DADRA1BADRA2A

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 3 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
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 EP disclosed