SCHEMBL9527377

SCHEMBL9527377

Cn1nccc(NCCN2CCN(c3ccccc3F)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 5/20 0.54
▸ HTR1A P08908 3/20 0.54
▸ ADRA1D P25100 3/20 0.54
▸ ADRA1B P35368 3/20 0.54
▸ DRD2 P14416 3/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ BRD9 Q9H8M2 1/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9529034 0.94 ADRA1A (0.56) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9526989 0.88 ADRA1A (0.55) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL27263628 0.87 ADRA1A (0.47) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527118 0.87 HTR1A (0.52) ADRA1AHTR1AADRA1DADRA1BBRD4
SCHEMBL9528533 0.85 ADRA1A (0.71) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527005 0.84 ADRA1A (0.52) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528344 0.84 ADRA1D (0.48) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527664 0.83 HTR1A (0.58) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527037 0.82 DRD2 (0.49) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527503 0.81 ADRA1A (0.57) ADRA1AHTR1AADRA1DADRA1BDRD2

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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