SCHEMBL9528561

SCHEMBL9528561

COc1ccc(C)cc1N1CCN(CCNc2cnn(C)c(=O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 11/20 0.56
ADRA1A P35348 12/20 0.50
HTR1A P08908 12/20 0.50
ADRA1D P25100 10/20 0.50
DRD2 P14416 3/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR1B P28222 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 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 0.92 HTR1A (0.50) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527896 0.88 HTR1A (0.62) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9528291 0.82 HTR1A (0.63) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9532108 0.82 ADRA1B (0.55) ADRA1BADRA1AHTR1AADRA1DHTR1B
SCHEMBL9528052 0.82 ADRA1B (0.53) ADRA1BADRA1AHTR1AADRA1DLMNA
SCHEMBL9531342 0.81 HTR1A (0.60) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527638 0.80 HTR1A (0.61) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527885 0.80 ADRA1B (0.49) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527573 0.80 ADRA1B (0.60) ADRA1BADRA1AHTR1AADRA1DDRD2
SCHEMBL9527784 0.79 ADRA1B (0.47) 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