SCHEMBL9531536

SCHEMBL9531536

COc1cccc(N2CCN(CCNc3cnn(C)c(=O)c3Cl)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
DRD4 P21917 5/20 0.52
DRD2 P14416 4/20 0.51
HTR1A P08908 5/20 0.51
HTR2A P28223 3/20 0.51
HRH1 P35367 2/20 0.51
HTR7 P34969 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1B P28222 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
BPTF Q12830 1/20 0.48
DRD3 P35462 2/20 0.48
HTR2C P28335 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL9527765 0.90 KMT2A (0.53) KCNH2HRH1BPTFMAPTSMN1; SMN2
SCHEMBL9531572 0.87 KAT2B (0.58) DRD2HTR2AHRH1ADRA1AADRA1B
SCHEMBL27264163 0.86 DRD4 (0.50) KCNH2DRD4DRD2HTR1AHTR2A
SCHEMBL9531418 0.86 KCNH2 (0.53) KCNH2DRD4DRD2HTR1AHTR2A
SCHEMBL9527623 0.85 HTR7 (0.49) DRD2HTR7ADRA1ASIGMAR1BPTF
SCHEMBL9527132 0.83 KAT2B (0.49) BPTF
SCHEMBL27263187 0.82 DRD4 (0.48) DRD4DRD2HTR1AADRA1AADRA1B
SCHEMBL9527346 0.81 ADRA1A (0.65) DRD4DRD2HTR1AADRA1AADRA1B
SCHEMBL9528853 0.81 KAT2B (0.60) DRD2HTR2AHRH1BPTF
SCHEMBL9527544 0.81 KAT2B (0.56) BPTF

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