SCHEMBL9528853

SCHEMBL9528853

Cn1ncc(NCCN2CCN(c3ccc(F)cc3)CC2)c(Cl)c1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.60
BRD4 O60885 6/20 0.60
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HRH1 P35367 1/20 0.54
BPTF Q12830 2/20 0.54
BRD9 Q9H8M2 4/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9527777 0.94 KAT2B (0.57) KAT2BBRD4DRD2HTR2AHRH1
SCHEMBL9531572 0.89 KAT2B (0.58) KAT2BBRD4DRD2HTR2AHRH1
SCHEMBL9527101 0.85 ATM (0.47) KAT2BBRD4BRD9CNR1CNR2
SCHEMBL9527132 0.85 KAT2B (0.49) KAT2BBRD4BPTFBRD9CNR1
SCHEMBL9529694 0.85 DRD2 (0.54) KAT2BBRD4DRD2HTR2AHRH1
SCHEMBL9527765 0.84 KMT2A (0.53) KAT2BBRD4HRH1BPTFBRD9
SCHEMBL9527037 0.83 DRD2 (0.49) DRD2HTR2AHRH1
SCHEMBL9527005 0.83 ADRA1A (0.52) KAT2BBRD4DRD2HTR2AHRH1
SCHEMBL6181302 0.81 DRD2 (0.55) DRD2HTR2AHRH1TP53
SCHEMBL27264164 0.81 BPTF (0.52) KAT2BBRD4DRD2HTR2AHRH1

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