SCHEMBL9528713

SCHEMBL9528713

Cc1ccccc1N1CCN(CCCNc2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.55
▸ KAT2B Q92831 4/20 0.55
▸ BRD9 Q9H8M2 6/20 0.54
▸ ADRA1A P35348 4/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ BRD7 Q9NPI1 2/20 0.48
▸ BRPF1 P55201 1/20 0.48
▸ ADRA1B P35368 4/20 0.47
▸ ADRA1D P25100 3/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ TRPC5 Q9UL62 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
SCHEMBL9527047 0.94 BRD4 (0.57) BRD4KAT2BBRD9ADRA1ADRD2
SCHEMBL9528374 0.89 DRD2 (0.58) BRD4KAT2BBRD9ADRA1ADRD2
SCHEMBL9527001 0.87 ADRA1A (0.63) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9526613 0.86 ADRA1A (0.52) BRD4BRD9ADRA1ADRD2DRD3
SCHEMBL9527827 0.84 HTR1A (0.60) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9527503 0.84 ADRA1A (0.57) BRD4BRD9ADRA1ADRD2DRD3
SCHEMBL9528918 0.84 HTR1A (0.59) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL9526962 0.83 KAT2B (0.57) BRD4KAT2BBRD9DRD2DRD3
SCHEMBL9531491 0.82 BRD4 (0.51) BRD4KAT2BBRD9ADRA1ABRD7
SCHEMBL9527005 0.82 ADRA1A (0.52) BRD4KAT2BBRD9ADRA1ADRD2

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
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