SCHEMBL4594971

SCHEMBL4594971

CCOc1cc(CN(c2nc3cc(N(Cc4cc(OCC)c(N)c(OCC)c4)C4CCNCC4)c(C(=O)OC)cc3o2)C2CCNCC2)cc(OCC)c1N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.34
SSTR1 P30872 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 2/20 0.31
CREBBP Q92793 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
IKBKB O14920 1/20 0.30
GRK5 P34947 1/20 0.30

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
SCHEMBL4593433 0.92 SSTR5 (0.37) SSTR5ALDH1A1HTTSMN1; SMN2KCNH2
SCHEMBL4594457 0.89 SSTR5 (0.39) SSTR5SSTR1HRH1ALDH1A1HTT
SCHEMBL4594414 0.89 SSTR5 (0.37) SSTR5SSTR1HRH1ALDH1A1HTT
SCHEMBL4594469 0.89 SSTR5 (0.36) SSTR5ALDH1A1HTTSMN1; SMN2KCNH2
SCHEMBL4594337 0.88 SSTR5 (0.40) SSTR5SSTR1HRH1ALDH1A1HTT
SCHEMBL4594089 0.87 SSTR5 (0.39) SSTR5SSTR1HRH1ALDH1A1SMN1; SMN2
SCHEMBL4593242 0.85 EP300 (0.33)
SCHEMBL4594274 0.82 REN (0.41) SSTR5SMN1; SMN2MAPTSLC6A2SLC6A4
SCHEMBL4594277 0.82 SSTR5 (0.45) SSTR5SSTR1HRH1MAPTKCNH2
SCHEMBL4594247 0.81 SSTR5 (0.39) SSTR5SMN1; SMN2MAPTSLC6A2SLC6A4

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
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed