SCHEMBL9529694

SCHEMBL9529694

Cn1ncc(Cl)c(NCCN2CCN(c3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
HTR2A P28223 2/20 0.54
HRH1 P35367 1/20 0.54
BPTF Q12830 1/20 0.51
TP53 P04637 2/20 0.43
BRD4 O60885 1/20 0.43
KAT2B Q92831 1/20 0.43
HTR1A P08908 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD4 P21917 1/20 0.43
MAPT P10636 2/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9527024 0.89 BPTF (0.53) DRD2HTR2AHRH1BPTFHTR1A
SCHEMBL9527274 0.85 BPTF (0.47) BPTFHTR1AMAPTLMNA
SCHEMBL9529009 0.85 BPTF (0.54) DRD2HTR2AHRH1BPTFKAT2B
SCHEMBL9528853 0.85 KAT2B (0.60) DRD2HTR2AHRH1BPTFTP53
SCHEMBL9527290 0.84 KCNH2 (0.51) DRD2HRH1BPTFDRD4MAPT
SCHEMBL9531700 0.84 BPTF (0.46) DRD2HTR2AHRH1BPTFTP53
SCHEMBL9528184 0.83 ADRA1A (0.58) DRD2HTR2AHRH1BPTFTP53
SCHEMBL27263072 0.81 BPTF (0.46) DRD2HTR2AHRH1BPTFTP53
SCHEMBL9526907 0.81 HTR7 (0.49) DRD2ADRA1ADRD5DRD3SIGMAR1
SCHEMBL9531418 0.81 KCNH2 (0.53) DRD2HTR2AHRH1HTR1AADRA1A

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