SCHEMBL9528552

SCHEMBL9528552

COc1cc(C)ccc1N1CCN(CCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 10/20 0.60
ADRA1D P25100 9/20 0.60
ADRA1A P35348 9/20 0.60
HTR1A P08908 9/20 0.60
CACNA1G O43497 1/20 0.43
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9527573 0.92 ADRA1B (0.60) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL9528533 0.87 ADRA1A (0.71) ADRA1BADRA1DADRA1AHTR1ACYP3A4
SCHEMBL9526850 0.85 ADRA1B (0.55) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9531150 0.85 ADRA1B (0.48) ADRA1BADRA1DADRA1AHTR1ACYP3A4
SCHEMBL9527589 0.82 ADRA1B (0.51) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9531299 0.81 ADRA1A (0.69) ADRA1BADRA1DADRA1AHTR1ACYP3A4
SCHEMBL9527073 0.80 HTR1A (0.65) ADRA1BADRA1DADRA1AHTR1ACYP3A4
SCHEMBL9527760 0.80 ADRA1B (0.44) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL9527333 0.80 HTR1A (0.50) ADRA1BADRA1DADRA1AHTR1ACYP3A4
SCHEMBL9527049 0.79 HTR1A (0.64) ADRA1BADRA1DADRA1AHTR1ACYP3A4

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