SCHEMBL9428233

SCHEMBL9428233

Cn1c(N2CCN(CCCCC(=O)Nc3ccc(F)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.48
HTR1A P08908 4/20 0.48
HTR7 P34969 4/20 0.48
PDE4B Q07343 1/20 0.48
BRD4 O60885 1/20 0.48
HPGD P15428 1/20 0.47
CHRNA3 P32297 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
SCHEMBL9385477 0.86 KMT2A (0.49) CACNA1GLMNAGAAALDH1A1HTR1A
SCHEMBL9429617 0.81 TSHR (0.62) LMNAALDH1A1HTR1AHTR7
Hydrochloric Acid SCHEMBL9429271 0.80 TSHR (0.65) LMNAALDH1A1HTR1AHTR7
SCHEMBL9429270 0.78 TP53 (0.60) CACNA1GLMNAGAAALDH1A1
SCHEMBL9428373 0.77 DRD2 (0.58) LMNAALDH1A1HTR1AHTR7HPGD
SCHEMBL9429935 0.76 MAPT (0.57) CACNA1GLMNAGAAALDH1A1ATM
SCHEMBL9428483 0.76 DRD2 (0.66) LMNAHTR1A
Hydrochloric Acid SCHEMBL9428467 0.76 DRD2 (0.57) LMNAALDH1A1HTR1AHTR7HPGD
SCHEMBL9870796 0.75 LMNA (0.50) LMNAALDH1A1
SCHEMBL9428377 0.75 CCR5 (0.44) ALDH1A1

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