SCHEMBL9528829

SCHEMBL9528829

Cc1ccc(N2CCN(CCCNc3cnn(C)c(=O)c3Cl)CC2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.48
BRD9 Q9H8M2 5/20 0.48
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.43
KAT2B Q92831 5/20 0.43
ADRA1B P35368 4/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.41
BPTF Q12830 1/20 0.40

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
SCHEMBL9763125 0.94 BRD4 (0.50) BRD4BRD9ALDH1A1CNR2KAT2B
SCHEMBL9527851 0.87 ADRA1B (0.47) BRD4BRD9ALDH1A1MAPTADRA1B
SCHEMBL9528091 0.85 BRD4 (0.45) BRD4BRD9CNR2ADRA1BADRA1D
SCHEMBL9527760 0.85 ADRA1B (0.44) BRD4BRD9MAPTADRA1BADRA1D
SCHEMBL9528713 0.82 BRD4 (0.55) BRD4BRD9KAT2BADRA1BADRA1D
SCHEMBL9531491 0.81 BRD4 (0.51) BRD4BRD9KAT2BADRA1BADRA1D
SCHEMBL9526850 0.81 ADRA1B (0.55) BRD4BRD9ALDH1A1CNR2KAT2B
SCHEMBL9528374 0.80 DRD2 (0.58) BRD4BRD9KAT2BADRA1BADRA1D
SCHEMBL9532108 0.79 ADRA1B (0.55) BRD4BRD9CNR2KAT2BADRA1B
SCHEMBL9763128 0.79 KAT2B (0.48) BRD4BRD9ALDH1A1KAT2BNPC1

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