SCHEMBL9531342

SCHEMBL9531342

COc1ccccc1N1CCN(CCCCNc2cnn(C)c(=O)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.60
DRD2 P14416 9/20 0.60
ADRA1A P35348 6/20 0.60
DRD3 P35462 6/20 0.60
HTR7 P34969 5/20 0.60
HTR2A P28223 4/20 0.60
HTR6 P50406 3/20 0.60
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
HRH1 P35367 2/20 0.60
HTR2B P41595 2/20 0.60
MAPT P10636 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
LMNA P02545 1/20 0.60
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL9527638 0.99 HTR1A (0.61) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9528291 0.97 HTR1A (0.63) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9527896 0.93 HTR1A (0.62) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9526846 0.83 ADRA1D (0.56) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL14761838 0.82 HTR1A (0.68) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9528433 0.82 HTR1A (0.55) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9526837 0.82 HTR1A (0.58) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9527333 0.81 HTR1A (0.50) HTR1ADRD2ADRA1ADRD3ADRA2A
SCHEMBL9528561 0.81 ADRA1B (0.56) HTR1ADRD2ADRA1ADRD3HTR7
SCHEMBL9528897 0.81 HTR1A (0.55) HTR1ADRD2ADRA1ADRD3HTR7

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