SCHEMBL9527346

SCHEMBL9527346

COc1ccccc1N1CCN(CCNc2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.65
HTR1A P08908 9/20 0.65
ADRA1D P25100 8/20 0.65
ADRA1B P35368 8/20 0.65
DRD2 P14416 1/20 0.51
DRD4 P21917 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
SCHEMBL9527001 0.94 ADRA1A (0.63) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527827 0.93 HTR1A (0.60) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528918 0.92 HTR1A (0.59) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9526946 0.90 HTR1A (0.53) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9528164 0.89 HTR1A (0.58) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527840 0.89 HTR1A (0.58) ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9527309 0.88 HTR1A (0.65) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL27263994 0.88 HTR1A (0.57) ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9527491 0.88 KAT2B (0.53) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9532108 0.87 ADRA1B (0.55) ADRA1AHTR1AADRA1DADRA1B

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 7 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 claimed
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 claimed
JP-2200676-A None JP disclosed
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
JP-H02200676-A NOVEL PIPERAZINYLALKYL-3(2H)-PIRIDAZINONE, PRODUCTION THEREOF AND USE THEREOF AS AGENTS LOWERING BLOOD PRESSURE CL PHARMA AG 1990-08-08 JP 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