SCHEMBL9528402

SCHEMBL9528402

COc1ccccc1N1CCN(CCCNc2ccn[nH]c2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.61
ADRA1A P35348 5/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1B P35368 3/20 0.61
DRD2 P14416 5/20 0.59
DRD3 P35462 2/20 0.59
CYP3A4 P08684 2/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
PMP22 Q01453 2/20 0.59
MAPT P10636 2/20 0.59
HIF1A Q16665 1/20 0.59
LMNA P02545 1/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL9527740 0.97 DRD2 (0.64) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527044 0.94 HTR1A (0.63) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527347 0.90 HTR1A (0.52) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9531299 0.84 ADRA1A (0.69) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9528269 0.83 HTR1A (0.61) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527073 0.81 HTR1A (0.65) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527778 0.81 HTR1A (0.58) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527049 0.80 HTR1A (0.64) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527442 0.79 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL10431176 0.79 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD2

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