SCHEMBL5367499

SCHEMBL5367499

NC(=O)c1ccc2c(c1)c(CN1CCOCC1)cn2N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
F2 P00734 3/20 0.47
PRSS1 P07477 2/20 0.47
ACHE P22303 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MCHR1 Q99705 1/20 0.40
CCR3 P51677 3/20 0.40
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP14 Q460N5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5374139 0.77 GAA (0.47) GAAF2PRSS1ACHEMEN1
SCHEMBL5367501 0.74 GAA (0.52) GAAACHEMEN1KMT2AKDM4E
SCHEMBL5203573 0.74 F2 (0.57) GAAF2ACHEMEN1KMT2A
SCHEMBL5204083 0.74 CYP2C9 (0.52) GAAF2PRSS1MEN1KMT2A
SCHEMBL5372863 0.72 F2 (0.59) GAAF2MEN1KMT2ATNKS
SCHEMBL5733657 0.72 GAA (0.55) GAAF2ACHEMEN1KMT2A
SCHEMBL5377979 0.72 GAA (0.47) GAAF2PRSS1ACHEMEN1
SCHEMBL6153849 0.70 GAA (1.00) GAAMEN1KMT2ACCR3LMNA
SCHEMBL1064864 0.70 GAA (0.66) GAAMEN1KMT2ALMNAKDM4E
SCHEMBL7376188 0.68 GAA (0.53) GAAF2ACHESMN1; SMN2TNKS

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