SCHEMBL9428879

SCHEMBL9428879

Cn1c(N2CCN(CCC(=O)c3ccccc3Cl)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
HRH1 P35367 11/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD2 P14416 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
SCHEMBL9429398 0.83 HTR1A (0.56) HTR1AHRH1ALDH1A1KMT2A
SCHEMBL9388133 0.83 HRH1 (0.44) HTR1AHRH1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9428830 0.82 ALDH1A1 (0.56) HTR1AHRH1ALDH1A1KMT2A
SCHEMBL9429593 0.81 SOD1 (0.57) HTR1AHRH1MEN1ALDH1A1KMT2A
SCHEMBL9428613 0.79 HTR1A (0.49) HTR1AHRH1MEN1KMT2AADRA1D
Hydrochloric Acid SCHEMBL8099007 0.78 USP2 (0.55) HTR1AALDH1A1KMT2ASIGMAR1DRD2
SCHEMBL9429034 0.77 MEN1 (0.54) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9429506 0.76 HRH1 (0.44) HTR1AHRH1ADRA1DADRA1AADRA1B
SCHEMBL9428857 0.76 HRH1 (0.48) HRH1MEN1ALDH1A1KMT2AADRA1D
SCHEMBL9428708 0.76 HRH1 (0.46) HRH1MEN1ALDH1A1KMT2ASIGMAR1

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