SCHEMBL9429477

SCHEMBL9429477

CC(=O)c1ccc(N(C)CCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.50
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR7 P34969 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42

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
Oxalic Acid SCHEMBL9388465 0.82 HTR7 (0.44) HRH1ADRA1DADRA1AADRA1BHTR7
SCHEMBL9383082 0.82 MAPT (0.48) HRH1ADRA1DADRA1AADRA1BHTR7
SCHEMBL9428669 0.81 HRH3 (0.64) HRH1HRH3
SCHEMBL9429182 0.81 HRH3 (0.64) HRH1HRH3
SCHEMBL9429871 0.80 HRH1 (0.48) HRH1ADRA1DADRA1AADRA1BHTR7
SCHEMBL9428656 0.78 ALDH1A1 (0.50) HRH1ADRA1DADRA1AADRA1BMEN1
SCHEMBL9428377 0.78 CCR5 (0.44) HRH1ADRA1DADRA1AADRA1BMEN1
SCHEMBL9428772 0.78 KDM4E (0.56) HRH1ALDH1A1HRH3
SCHEMBL9428958 0.75 HRH3 (0.47) HRH1HRH3
SCHEMBL9428719 0.75 HRH3 (0.47) HRH1ALDH1A1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed