SCHEMBL9428812

SCHEMBL9428812

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.45
HTR7 P34969 1/20 0.42
ADRA1B P35368 2/20 0.42
MAPT P10636 2/20 0.41
ADRA1A P35348 2/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9389262 0.85 ALDH1A1 (0.47) HRH1MAPTLMNACYP2C9CYP2C19
Oxalic Acid SCHEMBL9385484 0.83 ALDH1A1 (0.51) HRH1MAPTLMNACYP2C9MAPK1
Oxalic Acid SCHEMBL9385491 0.83 ALDH1A1 (0.51) HRH1MAPTLMNACYP2C9MAPK1
SCHEMBL9429282 0.81 KDM4E (0.54) HRH1HTR7ADRA1BMAPTADRA1A
SCHEMBL9429014 0.81 MEN1 (0.53) HRH1ADRA1BMAPTADRA1ALMNA
SCHEMBL9428958 0.79 HRH3 (0.47) HRH1KDM4E
SCHEMBL9428719 0.79 HRH3 (0.47) HRH1HTR1AKDM4EALDH1A1
SCHEMBL9428911 0.79 HRH1 (0.41) HRH1ADRA1BMAPTADRA1ALMNA
SCHEMBL9428800 0.78 HRH1 (0.46) HRH1ADRA1BMAPTADRA1ALMNA
SCHEMBL9383674 0.78 ALDH1A1 (0.53) HRH1MAPTLMNAHTR1AKDM4E

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