SCHEMBL9528841

SCHEMBL9528841

Cn1ncc(Cl)c(NCCN2CCN(c3ccccc3O)CC2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 11/20 0.55
ADRA1D P25100 10/20 0.55
ADRA1A P35348 10/20 0.55
HTR1A P08908 9/20 0.55
BPTF Q12830 1/20 0.49
BRD4 O60885 2/20 0.43
BRD9 Q9H8M2 2/20 0.43
TRPC5 Q9UL62 1/20 0.42
BRPF1 P55201 1/20 0.41
BRD7 Q9NPI1 1/20 0.41

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
SCHEMBL9531556 0.88 ADRA1A (0.53) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9528184 0.88 ADRA1A (0.58) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9526736 0.86 ADRA1A (0.62) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9531491 0.85 BRD4 (0.51) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9527024 0.85 BPTF (0.53) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9526613 0.82 ADRA1A (0.52) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9526993 0.82 ADRA1D (0.49) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9531508 0.82 DRD2 (0.58) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9527851 0.81 ADRA1B (0.47) ADRA1BADRA1DADRA1AHTR1ABPTF
SCHEMBL9528850 0.81 BPTF (0.49) 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