SCHEMBL9529414

SCHEMBL9529414

Cn1ncc(NCCCN2CCN(c3ccc(F)cc3)CC2)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 4/20 0.47
HTR2A P28223 3/20 0.47
TP53 P04637 1/20 0.47
HRH1 P35367 1/20 0.47
HTR1A P08908 3/20 0.47
HTR7 P34969 3/20 0.47
HTR2C P28335 2/20 0.47
DRD3 P35462 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9530968 0.93 DRD2 (0.52) ALOX15DRD2DRD4ALDH1A1CYP2D6
SCHEMBL9527520 0.83 HTR7 (0.55) DRD2TP53HTR1AHTR7
SCHEMBL27263872 0.82 DRD2 (0.47) DRD2DRD4MAPTHTR2ATP53
SCHEMBL9528291 0.80 HTR1A (0.63) DRD2DRD4CYP2C9MAPTHTR2A
SCHEMBL9528982 0.80 POLB (0.52) DRD2DRD4CYP2D6CYP2C9HTR2A
SCHEMBL9527777 0.80 KAT2B (0.57) DRD2DRD4MAPTHTR2ATP53
SCHEMBL9528837 0.78 DRD2 (0.48) ALOX15DRD2DRD4ALDH1A1CYP2D6
SCHEMBL9531342 0.77 HTR1A (0.60) DRD2DRD4CYP2C9MAPTHTR2A
SCHEMBL9527638 0.77 HTR1A (0.61) DRD2DRD4CYP2C9MAPTHTR2A
SCHEMBL9527784 0.75 ADRA1B (0.47) DRD2CYP2C9MAPTHRH1HTR1A

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