SCHEMBL9526946

SCHEMBL9526946

CCOc1ccccc1N1CCN(CCNc2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
ADRA1D P25100 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HTR7 P34969 2/20 0.48
BRD4 O60885 1/20 0.47
KAT2B Q92831 1/20 0.47
BRD9 Q9H8M2 1/20 0.47

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
SCHEMBL9527346 0.90 ADRA1A (0.65) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9527491 0.90 KAT2B (0.53) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL27264116 0.89 HTR1A (0.48) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9527664 0.85 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9527047 0.85 BRD4 (0.57) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9527001 0.85 ADRA1A (0.63) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9531491 0.84 BRD4 (0.51) HTR1AADRA1DADRA1AADRA1BBRD4
SCHEMBL9527005 0.84 ADRA1A (0.52) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9527827 0.84 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9528918 0.83 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BDRD2

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