SCHEMBL9527047

SCHEMBL9527047

Cc1ccccc1N1CCN(CCNc2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.57
KAT2B Q92831 6/20 0.57
BRD9 Q9H8M2 10/20 0.52
ADRA1A P35348 4/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1B P35368 3/20 0.50
HTR1A P08908 2/20 0.50
BRPF1 P55201 2/20 0.49
BRD7 Q9NPI1 2/20 0.49
TRPC5 Q9UL62 1/20 0.47
BPTF Q12830 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 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
SCHEMBL9528713 0.94 BRD4 (0.55) BRD4KAT2BBRD9ADRA1AADRA1D
SCHEMBL9531491 0.88 BRD4 (0.51) BRD4KAT2BBRD9ADRA1AADRA1D
SCHEMBL9527005 0.88 ADRA1A (0.52) BRD4KAT2BBRD9ADRA1AADRA1D
SCHEMBL9527544 0.88 KAT2B (0.56) BRD4KAT2BBRD9BPTF
SCHEMBL9527346 0.87 ADRA1A (0.65) ADRA1AADRA1DADRA1BHTR1ADRD2
SCHEMBL9531572 0.86 KAT2B (0.58) BRD4KAT2BBRD9ADRA1AADRA1D
SCHEMBL9531556 0.85 ADRA1A (0.53) BRD4BRD9ADRA1AADRA1DADRA1B
SCHEMBL9526946 0.85 HTR1A (0.53) BRD4KAT2BBRD9ADRA1AADRA1D
SCHEMBL9526989 0.84 ADRA1A (0.55) BRD4BRD9ADRA1AADRA1DADRA1B
SCHEMBL9527491 0.83 KAT2B (0.53) BRD4KAT2BBRD9ADRA1AADRA1D

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