SCHEMBL9526736

SCHEMBL9526736

COc1ccccc1N1CCN(CCNc2c(Cl)cnn(C)c2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 13/20 0.62
▸ ADRA1D P25100 12/20 0.62
▸ ADRA1B P35368 12/20 0.62
▸ HTR1A P08908 12/20 0.62
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL9526823 0.94 HTR1A (0.64) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527725 0.93 HTR1A (0.60) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527250 0.92 HTR1A (0.59) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527339 0.91 HTR1A (0.66) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527540 0.89 ADRA1A (0.54) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527688 0.88 HTR1A (0.62) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9527012 0.88 HTR1A (0.56) ADRA1AADRA1DADRA1BHTR1ADRD4
SCHEMBL9526993 0.88 ADRA1D (0.49) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9528052 0.87 ADRA1B (0.53) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL9527589 0.87 ADRA1B (0.51) ADRA1AADRA1DADRA1BHTR1A

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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