SCHEMBL9429044

SCHEMBL9429044

CN(CCCN(C)c1cc(=O)n(C)c(=O)n1C)CCNc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL9385499 0.85 KCNH2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9428865 0.79 LMNA (0.36) RXFP1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL9389044 0.78 KCNH2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9429247 0.77 FDPS (0.40) RXFP1ALDH1A1SMN1; SMN2KCNH2HRH1
SCHEMBL9429409 0.76 FDPS (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9429655 0.75 ADRB2 (0.39) RXFP1ALDH1A1SMN1; SMN2KCNH2TAAR1
SCHEMBL9428470 0.72 CYP1A2 (0.62) HTR1ARXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9429257 0.72 MAPK1 (0.60) RXFP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10887423 0.71 LMNA (0.43) SMN1; SMN2LMNAKDM4EPOLBCYP1A2
SCHEMBL9383791 0.70 MAPK1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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 1 patent. 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