SCHEMBL5367998

SCHEMBL5367998

O=C(NCc1ccncc1)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.48
MAPK3 P27361 1/20 0.48
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
MCHR1 Q99705 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
GPR84 Q9NQS5 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRIN2B Q13224 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 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
SCHEMBL5369807 0.89 HDAC6 (0.47) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL7373279 0.86 SLC6A2 (0.51) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL7376190 0.84 SCN9A (0.55) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL5365749 0.83 SLC6A2 (0.45) MEN1KMT2ASLC6A2SLC6A4MCHR1
SCHEMBL5735093 0.82 HDAC6 (0.49) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL7369193 0.81 CHRM2 (0.51) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL5203581 0.81 GAA (0.54) MEN1KMT2AGPR84ALDH1A1GRIN2B
SCHEMBL5369718 0.81 HDAC6 (0.48) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL7368866 0.81 GPR84 (0.44) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL7371819 0.80 GPR84 (0.47) MEN1KMT2ASLC6A2SLC6A4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed