SCHEMBL9526989

SCHEMBL9526989

Cc1ccccc1N1CCN(CCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.55
ADRA1B P35368 6/20 0.55
ADRA1D P25100 5/20 0.55
HTR1A P08908 4/20 0.55
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
BRD4 O60885 2/20 0.46
BRD9 Q9H8M2 2/20 0.46
HTR7 P34969 3/20 0.46
TRPC5 Q9UL62 1/20 0.45
BRPF1 P55201 1/20 0.44
BRD7 Q9NPI1 1/20 0.44

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
SCHEMBL9527503 0.93 ADRA1A (0.57) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9527118 0.88 HTR1A (0.52) ADRA1AADRA1BADRA1DHTR1ABRD4
SCHEMBL9527377 0.88 ADRA1A (0.54) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9528427 0.87 HTR1A (0.46) ADRA1AADRA1BADRA1DHTR1ABRD4
SCHEMBL9528533 0.86 ADRA1A (0.71) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9528344 0.85 ADRA1D (0.48) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9527664 0.84 HTR1A (0.58) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9527047 0.84 BRD4 (0.57) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL9526815 0.82 HTR1A (0.47) ADRA1AADRA1BADRA1DHTR1AHTR7
SCHEMBL9529034 0.81 ADRA1A (0.56) ADRA1AADRA1BADRA1DHTR1ADRD2

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