SCHEMBL9531572

SCHEMBL9531572

Cn1ncc(NCCN2CCN(c3ccccc3)CC2)c(Cl)c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 12/20 0.58
BRD4 O60885 6/20 0.58
BRD9 Q9H8M2 5/20 0.58
BPTF Q12830 3/20 0.52
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 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
SCHEMBL9527765 0.90 KMT2A (0.53) KAT2BBRD4BRD9BPTFSMN1; SMN2
SCHEMBL9528853 0.89 KAT2B (0.60) KAT2BBRD4BRD9BPTFCNR1
SCHEMBL9527132 0.87 KAT2B (0.49) KAT2BBRD4BRD9BPTFCNR1
SCHEMBL9531536 0.87 KCNH2 (0.53) BPTFKDM4ESMN1; SMN2ADRA1AADRA1B
SCHEMBL9527047 0.86 BRD4 (0.57) KAT2BBRD4BRD9BPTFADRA1D
SCHEMBL9527101 0.85 ATM (0.47) KAT2BBRD4BRD9CNR1CNR2
SCHEMBL9527623 0.85 HTR7 (0.49) BPTFADRA1ADRD2
SCHEMBL9531491 0.85 BRD4 (0.51) KAT2BBRD4BRD9BPTFADRA1D
SCHEMBL9527005 0.85 ADRA1A (0.52) KAT2BBRD4BRD9BPTFKDM4E
SCHEMBL9532001 0.85 KAT2B (0.59) KAT2BBRD4BRD9BPTFADRA1D

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