SCHEMBL9429409

SCHEMBL9429409

CN(CCCCOc1ccc(Cl)cc1)CCN(C)c1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2C P28335 1/20 0.37

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
SCHEMBL9429247 0.85 FDPS (0.40) FDPSMAOAMAOBSMN1; SMN2HRH3
SCHEMBL9387366 0.85 KCNH2 (0.57) MEN1KMT2ASMN1; SMN2HRH3KCNH2
SCHEMBL9429236 0.82 MAOB (0.49) L3MBTL1MAOBHRH3KDM4EALDH1A1
SCHEMBL9384775 0.81 PKM (0.54) SMN1; SMN2HRH3KCNH2PKM
SCHEMBL9429044 0.76 HTR1A (0.37) MEN1TSHRKMT2ACYP1A2SMN1; SMN2
SCHEMBL9429706 0.72 SLC6A4 (0.38) FDPSMAOAMAOBCYP3A4SMN1; SMN2
SCHEMBL9428844 0.71 HTR1A (0.35) FDPSMEN1TSHRKMT2AMAOB
SCHEMBL9429504 0.71 THRB (0.39) FDPSTSHRL3MBTL1MAOBCYP1A2
SCHEMBL3444885 0.71 KDM4E (0.70) MAOAMAOBCYP1A2CYP3A4CYP2C19
SCHEMBL9384174 0.70 KCNH2 (0.50) CYP3A4SMN1; SMN2KCNH2PKM

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