SCHEMBL9526832

SCHEMBL9526832

CC(C)(C)n1ncc(Cl)c(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
DRD2 P14416 7/20 0.47
DRD3 P35462 6/20 0.47
ADRA1A P35348 5/20 0.47
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
DRD5 P21918 1/20 0.45
HTR4 Q13639 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL9526907 0.90 HTR7 (0.49) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9527102 0.81 DRD2 (0.50) HTR7DRD2DRD3ADRA1ASIGMAR1
SCHEMBL9531195 0.79 HTR2A (0.35) DRD2ALDH1A1SIGMAR1HTR2A
SCHEMBL9527623 0.79 HTR7 (0.49) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9527290 0.78 KCNH2 (0.51) DRD2
SCHEMBL9527138 0.78 ATM (0.54) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9527540 0.76 ADRA1A (0.54) DRD2ADRA1AHTR1A
SCHEMBL9531700 0.76 BPTF (0.46) DRD2ADRA1AHTR1AHTR2A
SCHEMBL5926123 0.76 HTR1A (0.47) ADRA1AHTR1A
SCHEMBL9531418 0.75 KCNH2 (0.53) HTR7DRD2DRD3ADRA1AALDH1A1

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