SCHEMBL9527118

SCHEMBL9527118

Cn1nccc(NCCN2CCN(c3ccccc3O)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.52
▸ ADRA1B P35368 8/20 0.52
▸ ADRA1D P25100 8/20 0.52
▸ ADRA1A P35348 7/20 0.52
▸ HTR7 P34969 3/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.42

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
SCHEMBL9526989 0.88 ADRA1A (0.55) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL27263634 0.87 HTR1A (0.47) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527377 0.87 ADRA1A (0.54) HTR1AADRA1BADRA1DADRA1ABRD4
SCHEMBL9528533 0.85 ADRA1A (0.71) HTR1AADRA1BADRA1DADRA1A
SCHEMBL9531491 0.84 BRD4 (0.51) HTR1AADRA1BADRA1DADRA1ABRD4
SCHEMBL9528344 0.84 ADRA1D (0.48) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527664 0.83 HTR1A (0.58) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9527503 0.81 ADRA1A (0.57) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9528463 0.81 GAA (0.45) HTR1AADRA1BADRA1DADRA1AHTR7
SCHEMBL9526815 0.81 HTR1A (0.47) HTR1AADRA1BADRA1DADRA1AHTR7

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
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