SCHEMBL6603753

SCHEMBL6603753

CCCN(CCC)CCCOc1cc(N)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
EBP Q15125 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6602069 0.93 SIGMAR1 (0.53) SIGMAR1EBPTMEM97KDM4EGAA
SCHEMBL5704645 0.84 GAA (0.59) KDM4EGAAMAPT
SCHEMBL4041381 0.84 KDM4E (0.59) KDM4EGAAMAPT
SCHEMBL188792 0.83 GAA (0.50) KDM4EGAAMAPT
SCHEMBL22502366 0.83 GAA (0.57) SIGMAR1KDM4EGAAMAPT
SCHEMBL22502189 0.82 MAPT (0.66) KDM4EGAAMAPT
SCHEMBL3616464 0.82 BIRC5 (0.54) SIGMAR1KDM4EGAAMAPT
SCHEMBL6200318 0.79 GAA (0.46) SIGMAR1KDM4EGAAMAPT
SCHEMBL6604506 0.79 GAA (0.43) KDM4EGAAMAPT
SCHEMBL1220219 0.78 HTR7 (0.53) KDM4EGAAMAPT

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
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed