SCHEMBL9528837

SCHEMBL9528837

Cn1nccc(NCCCN2CCN(c3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR2A P28223 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 2/20 0.45
HRH1 P35367 1/20 0.45
OPRK1 P41145 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 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
SCHEMBL9527037 0.93 DRD2 (0.49) DRD2DRD4ALDH1A1CYP2D6CYP2C9
SCHEMBL9527777 0.84 KAT2B (0.57) DRD2DRD4HTR2AHTR1AHTR2C
SCHEMBL9529034 0.83 ADRA1A (0.56) DRD2ALDH1A1CYP2D6CYP2C9HTR2A
SCHEMBL9528344 0.81 ADRA1D (0.48) DRD2HTR2AHTR1AHTR7SMN1; SMN2
SCHEMBL9528237 0.79 POLB (0.51) DRD2HTR2AHTR1AHTR2CHTR7
SCHEMBL9527503 0.79 ADRA1A (0.57) DRD2HTR1AHTR7
SCHEMBL9531299 0.79 ADRA1A (0.69) DRD2CYP2C9HTR2AHTR1AHTR7
SCHEMBL9529414 0.78 ALOX15 (0.50) DRD2DRD4ALDH1A1CYP2D6CYP2C9
SCHEMBL9528853 0.77 KAT2B (0.60) DRD2HTR2ATP53HRH1
SCHEMBL9527073 0.76 HTR1A (0.65) DRD2DRD4CYP2C9HTR2AHTR1A

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