SCHEMBL9528871

SCHEMBL9528871

Cc1ccccc1N1CCN(CCNc2c(Cl)cnn(CCN(C)C)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.47
ADRA1A P35348 6/20 0.44
ADRA1D P25100 5/20 0.44
ADRA1B P35368 5/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR7 P34969 1/20 0.39

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
SCHEMBL9763518 0.88 HTR1A (0.52) ADRA1AADRA1DADRA1BHTR1AHTR7
SCHEMBL9531556 0.85 ADRA1A (0.53) BPTFADRA1AADRA1DADRA1BHTR1A
SCHEMBL27263870 0.80 DRD4 (0.50) BPTFADRA1AADRA1BHTR1ADRD2
SCHEMBL9526613 0.80 ADRA1A (0.52) BPTFADRA1AADRA1DADRA1BHTR1A
SCHEMBL9527012 0.77 HTR1A (0.56) ADRA1AADRA1DADRA1BHTR1AHTR7
SCHEMBL9528648 0.76 HTR1A (0.56) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL9528841 0.75 ADRA1B (0.55) BPTFADRA1AADRA1DADRA1BHTR1A
SCHEMBL9528184 0.75 ADRA1A (0.58) BPTFADRA1AADRA1DADRA1BHTR1A
SCHEMBL9527111 0.74 BPTF (0.51) BPTFADRA1AADRA1DADRA1BHTR1A
SCHEMBL9527047 0.73 BRD4 (0.57) BPTFADRA1AADRA1DADRA1BHTR1A

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 2 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-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