SCHEMBL9527005

SCHEMBL9527005

Cn1ncc(NCCN2CCN(c3ccccc3F)CC2)c(Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.52
HTR1A P08908 3/20 0.52
ADRA1D P25100 3/20 0.52
ADRA1B P35368 3/20 0.52
BRD4 O60885 8/20 0.51
KAT2B Q92831 6/20 0.51
BRD9 Q9H8M2 6/20 0.51
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KDM4E B2RXH2 1/20 0.46
BRPF1 P55201 2/20 0.46
BRD7 Q9NPI1 1/20 0.46
BPTF Q12830 1/20 0.46
DRD3 P35462 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL9528374 0.94 DRD2 (0.58) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9527047 0.88 BRD4 (0.57) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL27263418 0.88 BRD4 (0.46) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9531491 0.88 BRD4 (0.51) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9527346 0.86 ADRA1A (0.65) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528184 0.85 ADRA1A (0.58) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9531572 0.85 KAT2B (0.58) ADRA1AADRA1DADRA1BBRD4KAT2B
SCHEMBL9526946 0.84 HTR1A (0.53) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9527377 0.84 ADRA1A (0.54) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9528853 0.83 KAT2B (0.60) BRD4KAT2BBRD9DRD2HTR2A

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