SCHEMBL9527520

SCHEMBL9527520

Cn1ncc(NCCN2CCN(c3ccccc3)CC2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.55
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR1A P08908 2/20 0.49
DRD2 P14416 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.43
PKM P14618 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
SCHEMBL9530968 0.89 DRD2 (0.52) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9527885 0.85 ADRA1B (0.49) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9529080 0.84 POLB (0.48) HTR7HTR1ADRD2KCNH2
SCHEMBL9528180 0.84 ADRA1B (0.46) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9527068 0.84 HTR7 (0.40) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9529414 0.83 ALOX15 (0.50) HTR7HTR1ADRD2TP53
SCHEMBL9527896 0.82 HTR1A (0.62) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9526846 0.81 ADRA1D (0.56) HTR7ADRA1DADRA1AADRA1BHTR1A
SCHEMBL27263872 0.80 DRD2 (0.47) HTR7HTR1ADRD2TP53
SCHEMBL5926097 0.80 HTR7 (0.56) HTR7HTR1ADRD2KCNH2PKM

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