SCHEMBL8780932

SCHEMBL8780932

CCN(CCc1ccc([N+](=O)[O-])cc1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.56
SIGMAR1 Q99720 1/20 0.52
TSHR P16473 1/20 0.51
CDC25C P30307 1/20 0.48
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KCNJ1 P48048 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
PKM P14618 1/20 0.46
PYCR1 P32322 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3157762 0.83 KCNH2 (0.71) KCNH2SIGMAR1TSHRCDC25CKCNJ1
SCHEMBL9628232 0.83 KCNH2 (0.76) KCNH2SIGMAR1TSHRCDC25CKCNJ1
SCHEMBL777298 0.82 KCNH2 (0.60) KCNH2SIGMAR1TSHRCDC25CCRHBP
SCHEMBL9628028 0.82 KCNH2 (0.74) KCNH2SIGMAR1TSHRCDC25CCRHBP
SCHEMBL3143117 0.78 KCNH2 (0.64) KCNH2SIGMAR1TSHRCDC25CCRHBP
SCHEMBL13897015 0.77 KCNH2 (0.72) KCNH2SIGMAR1TSHRCDC25CMAPT
Dimethylamine SCHEMBL5708300 0.77 KCNH2 (0.55) KCNH2SIGMAR1TSHRCDC25CCRHBP
SCHEMBL6778459 0.77 KCNH2 (0.76) KCNH2TSHRMAPTCRHBPCRHR2
SCHEMBL670267 0.76 TSHR (0.64) KCNH2TSHRMAPTKCNJ1LOXL2
SCHEMBL11132823 0.76 KCNH2 (0.57) KCNH2SIGMAR1TSHRCDC25CMAPT

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
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed