SCHEMBL9531491

SCHEMBL9531491

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.51
KAT2B Q92831 9/20 0.51
BRD9 Q9H8M2 8/20 0.51
HTR1A P08908 4/20 0.47
ADRA1D P25100 4/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1B P35368 4/20 0.47
BRPF1 P55201 3/20 0.46
BRD7 Q9NPI1 1/20 0.46
BPTF Q12830 3/20 0.46

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
SCHEMBL9527047 0.88 BRD4 (0.57) BRD4KAT2BBRD9HTR1AADRA1D
SCHEMBL27263186 0.88 ALDH1A1 (0.47) BRD4KAT2BBRD9HTR1AADRA1D
SCHEMBL9527005 0.88 ADRA1A (0.52) BRD4KAT2BBRD9HTR1AADRA1D
SCHEMBL9763125 0.87 BRD4 (0.50) BRD4KAT2BBRD9HTR1AADRA1D
SCHEMBL9527346 0.86 ADRA1A (0.65) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9528841 0.85 ADRA1B (0.55) BRD4BRD9HTR1AADRA1DADRA1A
SCHEMBL9531572 0.85 KAT2B (0.58) BRD4KAT2BBRD9ADRA1DADRA1A
SCHEMBL9526946 0.84 HTR1A (0.53) BRD4KAT2BBRD9HTR1AADRA1D
SCHEMBL9527118 0.84 HTR1A (0.52) BRD4BRD9HTR1AADRA1DADRA1A
SCHEMBL9528713 0.82 BRD4 (0.55) BRD4KAT2BBRD9HTR1AADRA1D

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