SCHEMBL9389096

SCHEMBL9389096

CC(C)n1c(NCCN(CCO)CCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C(C)C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.64
▸ SLC22A2 O15244 1/20 0.64
▸ ADRB1 P08588 1/20 0.64
▸ SLC6A4 P31645 1/20 0.64
▸ SLC47A2 Q86VL8 1/20 0.64
▸ SLC47A1 Q96FL8 1/20 0.64
▸ TSHR P16473 1/20 0.38
▸ CDC25C P30307 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL9428867 0.84 SLC22A2 (0.44) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9388704 0.83 KCNH2 (0.89) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9385063 0.82 KCNH2 (0.65) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9388202 0.78 KCNH2 (0.86) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Nifekalant SCHEMBL157527 0.78 KCNH2 (1.00) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Nifekalant SCHEMBL243693 0.77 KCNH2 (0.98) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386021 0.77 KCNH2 (0.94) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Nifekalant SCHEMBL1649642 0.77 KCNH2 (0.96) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384464 0.75 SLC22A2 (0.80) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9389997 0.74 KCNH2 (0.93) KCNH2SLC22A2ADRB1SLC6A4SLC47A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 — — EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 — — US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 — — EP disclosed
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