SCHEMBL7912936

SCHEMBL7912936

CN=C(N)NC(=O)c1cnc2c(c1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NNMT P40261 3/20 0.37
SLC9A1 P19634 1/20 0.37
CYP11B2 P19099 2/20 0.35
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 4/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
EEF2K O00418 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
SCHEMBL7903016 0.99 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7916798 0.99 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTNPC1
Dimethylamine SCHEMBL7911323 0.96 ADRA2A (0.42) ADRA2AADRA2BADRA2CMAPTNPC1
Fumaric Acid SCHEMBL8138269 0.92 ADRA2A (0.39) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7916814 0.86 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7913108 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7902795 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7916724 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7910325 0.84 GRM5 (0.36) ADRA2AADRA2BADRA2CMAPTNPC1
SCHEMBL7913237 0.84 NPC1 (0.41) MAPTNPC1ALDH1A1NNMTCYP11B2

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-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed