SCHEMBL9529429

SCHEMBL9529429

CCC(Nc1cc(=O)n(C)c(=O)n1C)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.63
ADRA1A P35348 4/20 0.63
HTR1A P08908 4/20 0.63
DRD3 P35462 4/20 0.63
MAPT P10636 3/20 0.63
ADRA2A P08913 3/20 0.63
ADRA2B P18089 3/20 0.63
ADRA2C P18825 3/20 0.63
CYP3A4 P08684 3/20 0.63
HRH1 P35367 2/20 0.63
HTR2B P41595 2/20 0.63
LMNA P02545 2/20 0.63
ADRB2 P07550 1/20 0.63
ADRB1 P08588 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
SLC6A4 P31645 1/20 0.63
CYP2C19 P33261 1/20 0.63
PDE3A Q14432 1/20 0.63

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
SCHEMBL9428413 0.77 ADRA1A (0.74) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL29363219 0.77 HTR1A (1.00) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL48992 0.77 HTR1A (1.00) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL30426045 0.76 MAPT (1.00) DRD2ADRA1AHTR1ADRD3MAPT
SCHEMBL13532733 0.76 HTR1A (0.94) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL1321654 0.76 MAPT (1.00) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL28768392 0.73 DRD2 (0.91) DRD2ADRA1AHTR1ADRD3MAPT
Urapidil SCHEMBL28768407 0.73 DRD2 (0.84) DRD2ADRA1AHTR1ADRD3MAPT
SCHEMBL8013991 0.73 DRD2 (0.57) DRD2ADRA1AHTR1ADRD3CYP3A4
SCHEMBL6930822 0.72 MAPT (0.48) DRD2HTR1AMAPTLMNAMAPK1

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