SCHEMBL9528052

SCHEMBL9528052

COc1ccc(C)cc1N1CCN(CCNc2c(Cl)cnn(C)c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 16/20 0.53
ADRA1D P25100 15/20 0.53
ADRA1A P35348 15/20 0.53
HTR1A P08908 13/20 0.53
BPTF Q12830 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL9527589 0.93 ADRA1B (0.51) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9526736 0.87 ADRA1A (0.62) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9532108 0.87 ADRA1B (0.55) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9526823 0.82 HTR1A (0.64) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9527573 0.82 ADRA1B (0.60) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9528561 0.82 ADRA1B (0.56) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9527725 0.81 HTR1A (0.60) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9527250 0.80 HTR1A (0.59) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9531556 0.80 ADRA1A (0.53) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9528415 0.80 ADRA1B (0.46) ADRA1BADRA1DADRA1AHTR1ABPTF

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