SCHEMBL9529609

SCHEMBL9529609

CCOc1cc(C)ccc1N1CCN(CCCNC2=CC(=O)NN(C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.44
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
DRD2 P14416 5/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
ADRA1A P35348 4/20 0.40
HTR1A P08908 3/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
CYP3A4 P08684 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
PMP22 Q01453 2/20 0.40
ADRA1D P25100 1/20 0.40
HIF1A Q16665 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9531150 0.76 ADRA1B (0.48) ADRA1BMAPTLMNAADRA1AHTR1A
SCHEMBL9527784 0.76 ADRA1B (0.47) ADRA1BMAPTLMNADRD2DRD3
SCHEMBL9528091 0.74 BRD4 (0.45) ADRA1BADRA1AHTR1AADRA1D
SCHEMBL9528415 0.74 ADRA1B (0.46) ADRA1BMAPTLMNAADRA1AHTR1A
SCHEMBL7803781 0.67 ADRA1A (0.68) ADRA1BMAPTLMNADRD2DRD3
SCHEMBL9526991 0.67 ADRA1B (0.51) ADRA1BMAPTLMNADRD2DRD3
SCHEMBL13419199 0.66 POLB (0.52) MAPTLMNADRD2DRD3DRD4
SCHEMBL16440175 0.65 ALDH1A1 (0.56) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL9527347 0.65 HTR1A (0.52) ADRA1BDRD2DRD3ADRA1AHTR1A
SCHEMBL11679660 0.64 DRD2 (0.56) ADRA1BMAPTLMNADRD2DRD3

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