SCHEMBL9531418

SCHEMBL9531418

COc1cccc(N2CCN(CCNc3c(Cl)cnn(C)c3=O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.53
▸ DRD4 P21917 5/20 0.52
▸ DRD2 P14416 4/20 0.51
▸ HTR1A P08908 4/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PMP22 Q01453 1/20 0.48

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
SCHEMBL9527290 0.90 KCNH2 (0.51) KCNH2DRD4DRD2HRH1MAPT
SCHEMBL9527024 0.87 BPTF (0.53) DRD2HTR1AHRH1HTR2AHTR7
SCHEMBL27263870 0.86 DRD4 (0.50) KCNH2DRD4DRD2HTR1AHRH1
SCHEMBL9531536 0.86 KCNH2 (0.53) KCNH2DRD4DRD2HTR1AHRH1
SCHEMBL9526907 0.85 HTR7 (0.49) DRD2HTR7ADRA1ASIGMAR1ALDH1A1
SCHEMBL9529009 0.83 BPTF (0.54) DRD4DRD2HTR1AHRH1HTR2A
SCHEMBL27263188 0.82 DRD4 (0.45) KCNH2DRD4DRD2HTR1AHRH1
SCHEMBL9526736 0.81 ADRA1A (0.62) DRD4DRD2HTR1AADRA2AADRA2C
SCHEMBL9527111 0.81 BPTF (0.51) HTR1AHRH1HTR7ADRA1AADRA1B
SCHEMBL9529694 0.81 DRD2 (0.54) DRD4DRD2HTR1AHRH1HTR2A

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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