SCHEMBL9527573

SCHEMBL9527573

COc1ccc(C)cc1N1CCN(CCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 12/20 0.60
ADRA1A P35348 12/20 0.60
HTR1A P08908 12/20 0.60
ADRA1D P25100 11/20 0.60
HTR1B P28222 1/20 0.46
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 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
SCHEMBL9528552 0.92 ADRA1B (0.60) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9528533 0.87 ADRA1A (0.71) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9532108 0.85 ADRA1B (0.55) ADRA1BADRA1AHTR1AADRA1DHTR1B
SCHEMBL9528052 0.82 ADRA1B (0.53) ADRA1BADRA1AHTR1AADRA1DLMNA
SCHEMBL9531299 0.81 ADRA1A (0.69) ADRA1BADRA1AHTR1AADRA1DLMNA
SCHEMBL9528561 0.80 ADRA1B (0.56) ADRA1BADRA1AHTR1AADRA1DHTR1B
SCHEMBL9527073 0.80 HTR1A (0.65) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527049 0.79 HTR1A (0.64) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9531150 0.79 ADRA1B (0.48) ADRA1BADRA1AHTR1AADRA1DLMNA
SCHEMBL9526989 0.79 ADRA1A (0.55) ADRA1BADRA1AHTR1AADRA1DDRD2

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