SCHEMBL9428958

SCHEMBL9428958

CC(=O)c1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
HRH1 P35367 7/20 0.47
MAOB P27338 2/20 0.44
HRH2 P25021 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9428719 0.90 HRH3 (0.47) HRH3HRH1HRH2KDM4E
SCHEMBL9428669 0.86 HRH3 (0.64) HRH3HRH1HRH2KDM4E
SCHEMBL9385661 0.85 ALDH1A1 (0.48) HRH3HRH1KDM4E
SCHEMBL9428426 0.85 HRH3 (0.43) HRH3HRH1HRH2KDM4E
SCHEMBL9429765 0.83 HRH3 (0.52) HRH3HRH1MAOB
Oxalic Acid SCHEMBL9388811 0.83 KDM4E (0.53) HRH3HRH1KDM4E
SCHEMBL9429182 0.83 HRH3 (0.64) HRH3HRH1HRH2KDM4E
SCHEMBL9388387 0.82 HTR1A (0.46) HRH3HRH1HRH2KDM4E
SCHEMBL9428383 0.81 MAPT (0.59) HRH1MAOB
Hydrochloric Acid SCHEMBL9385389 0.81 HTR1A (0.46) HRH3HRH1HRH2KDM4E

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