SCHEMBL9527784

SCHEMBL9527784

CCOc1cc(C)ccc1N1CCN(CCCNc2cnn(C)c(=O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 4/20 0.47
HTR1A P08908 6/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1D P25100 3/20 0.46
HTR7 P34969 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 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
SCHEMBL9527333 0.85 HTR1A (0.50) ADRA1BHTR1AADRA1AADRA1DMAPT
SCHEMBL9528415 0.83 ADRA1B (0.46) ADRA1BHTR1AADRA1AADRA1DMAPT
SCHEMBL9528091 0.83 BRD4 (0.45) ADRA1BHTR1AADRA1AADRA1D
SCHEMBL9526846 0.83 ADRA1D (0.56) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9531150 0.81 ADRA1B (0.48) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9528291 0.81 HTR1A (0.63) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9528561 0.79 ADRA1B (0.56) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9531342 0.78 HTR1A (0.60) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9527638 0.77 HTR1A (0.61) ADRA1BHTR1AADRA1AADRA1DHTR7
SCHEMBL9529609 0.76 ADRA1B (0.44) ADRA1BHTR1AADRA1AADRA1DHTR7

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