SCHEMBL9532001

SCHEMBL9532001

Cn1ncc(NCCN2CCN(c3ccccn3)CC2)c(Cl)c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.59
BRD4 O60885 5/20 0.51
BRD9 Q9H8M2 4/20 0.51
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
DRD3 P35462 2/20 0.46
HTR7 P34969 1/20 0.46
BPTF Q12830 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL9526962 0.94 KAT2B (0.57) KAT2BBRD4BRD9HTR1ADRD2
SCHEMBL9528850 0.85 BPTF (0.49) KAT2BHTR1ADRD2DRD4HTR2A
SCHEMBL9526815 0.85 HTR1A (0.47) HTR1ADRD4HTR7ADRA1DADRA1A
SCHEMBL9531572 0.85 KAT2B (0.58) KAT2BBRD4BRD9DRD2HTR2A
SCHEMBL6184467 0.82 PKM (0.52) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL9527047 0.82 BRD4 (0.57) KAT2BBRD4BRD9HTR1ADRD2
SCHEMBL9531491 0.81 BRD4 (0.51) KAT2BBRD4BRD9HTR1ABPTF
SCHEMBL9527005 0.81 ADRA1A (0.52) KAT2BBRD4BRD9HTR1ADRD2
SCHEMBL9527544 0.81 KAT2B (0.56) KAT2BBRD4BRD9BPTF
SCHEMBL9526946 0.80 HTR1A (0.53) KAT2BBRD4BRD9HTR1ADRD2

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