SCHEMBL9529009

SCHEMBL9529009

Cn1ncc(Cl)c(NCCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.54
ADRA1D P25100 8/20 0.43
ADRA1A P35348 8/20 0.43
ADRA1B P35368 8/20 0.43
HTR1A P08908 7/20 0.43
HRH1 P35367 2/20 0.39
MAPK1 P28482 1/20 0.38
KAT2B Q92831 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL9527290 0.89 KCNH2 (0.51) BPTFHRH1MAPK1DRD2DRD4
SCHEMBL9527024 0.87 BPTF (0.53) BPTFADRA1DADRA1AADRA1BHTR1A
SCHEMBL9529694 0.85 DRD2 (0.54) BPTFADRA1DADRA1AADRA1BHTR1A
SCHEMBL9527132 0.84 KAT2B (0.49) BPTFKAT2B
SCHEMBL9531418 0.83 KCNH2 (0.53) ADRA1AADRA1BHTR1AHRH1DRD2
SCHEMBL9531700 0.82 BPTF (0.46) BPTFADRA1DADRA1AADRA1BHTR1A
SCHEMBL9527274 0.82 BPTF (0.47) BPTFHTR1AMAPK1
SCHEMBL9526907 0.82 HTR7 (0.49) ADRA1ADRD2
SCHEMBL9527111 0.81 BPTF (0.51) BPTFADRA1DADRA1AADRA1BHTR1A
SCHEMBL9531556 0.80 ADRA1A (0.53) BPTFADRA1DADRA1AADRA1BHTR1A

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 5 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
EP-0358290-B1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-03 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
EP-0358290-A1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed