SCHEMBL9528533

SCHEMBL9528533

COc1ccccc1N1CCN(CCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.71
HTR1A P08908 11/20 0.71
ADRA1D P25100 9/20 0.71
ADRA1B P35368 9/20 0.71
DRD2 P14416 3/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL9531299 0.94 ADRA1A (0.69) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527073 0.93 HTR1A (0.65) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527049 0.92 HTR1A (0.64) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527664 0.90 HTR1A (0.58) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528309 0.88 ADRA1A (0.61) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527444 0.87 HTR1A (0.60) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528552 0.87 ADRA1B (0.60) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527573 0.87 ADRA1B (0.60) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9526989 0.86 ADRA1A (0.55) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9526933 0.85 HTR1A (0.58) ADRA1AHTR1AADRA1DADRA1BDRD2

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