SCHEMBL9527760

SCHEMBL9527760

Cc1ccc(N2CCN(CCCNc3ccnn(C)c3=O)CC2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1B P35368 5/20 0.44
▸ ADRA1D P25100 4/20 0.44
▸ ADRA1A P35348 4/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ MAPT P10636 3/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL9528829 0.85 BRD4 (0.48) ADRA1BADRA1DADRA1AHTR1AMAPT
SCHEMBL9531150 0.85 ADRA1B (0.48) ADRA1BADRA1DADRA1AHTR1AMAPT
SCHEMBL9527851 0.82 ADRA1B (0.47) ADRA1BADRA1DADRA1AHTR1AMAPT
SCHEMBL9527503 0.81 ADRA1A (0.57) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL9527118 0.80 HTR1A (0.52) ADRA1BADRA1DADRA1AHTR1ABRD4
SCHEMBL9528552 0.80 ADRA1B (0.60) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL9763125 0.79 BRD4 (0.50) ADRA1BADRA1DADRA1AHTR1ABRD4
SCHEMBL9529034 0.78 ADRA1A (0.56) ADRA1BADRA1DADRA1AHTR1AMAPT
SCHEMBL9527573 0.78 ADRA1B (0.60) ADRA1BADRA1DADRA1AHTR1ADRD2
SCHEMBL9531299 0.77 ADRA1A (0.69) ADRA1BADRA1DADRA1AHTR1AMAPT

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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