SCHEMBL5370231

SCHEMBL5370231

CCN(CC)C(C)NC(=O)c1ccc2[nH]c(N3CCC(Cc4ccc(F)cc4)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
CHRM2 P08172 1/20 0.42
GRIN2B Q13224 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38

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
SCHEMBL5374205 0.92 HDAC6 (0.45) SCN9ACHRM2GRIN2BMEN1KMT2A
SCHEMBL7369193 0.81 CHRM2 (0.51) CHRM2GRIN2BMEN1KMT2AGRIN1
SCHEMBL7373279 0.76 SLC6A2 (0.51) SCN9AGRIN2BMEN1KMT2AGRIN1
SCHEMBL7376190 0.76 SCN9A (0.55) SCN9AGRIN2BMEN1KMT2AGRIN1
SCHEMBL5369718 0.74 HDAC6 (0.48) SCN9AGRIN2BMEN1KMT2AGRIN1
SCHEMBL5735093 0.74 HDAC6 (0.49) SCN9AGRIN2BMEN1KMT2AGRIN1
SCHEMBL5365819 0.74 HDAC6 (0.44) CHRM2GRIN2BMEN1KMT2AGRIN1
SCHEMBL5369714 0.72 GPR84 (0.48) GRIN2BMEN1KMT2AGRIN1GRIN2D
SCHEMBL5374691 0.71 GAA (0.47) GRIN2BMEN1KMT2AGRIN1GRIN2D
SCHEMBL5378033 0.70 SLC6A2 (0.45) GRIN2BMEN1KMT2AGRIN1GRIN2D

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed