SCHEMBL4594337

SCHEMBL4594337

CCOc1cc(CN(c2nc3cc(N(Cc4ccc(Cl)c(OCC)c4)C4CCNCC4)c(C(=O)OC)cc3o2)C2CCNCC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.40
HRH1 P35367 4/20 0.36
HTR2B P41595 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
TACR1 P25103 2/20 0.34
KDR P35968 1/20 0.34
SSTR1 P30872 2/20 0.33

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
SCHEMBL4594414 0.92 SSTR5 (0.37) SSTR5HRH1SMN1; SMN2ALDH1A1HTT
SCHEMBL4594469 0.92 SSTR5 (0.36) SSTR5SMN1; SMN2ALDH1A1HTTSLC6A2
SCHEMBL4594457 0.92 SSTR5 (0.39) SSTR5HRH1HTR2BSMN1; SMN2ALDH1A1
SCHEMBL4593368 0.88 SSTR5 (0.48) SSTR5HRH1HTR2BSLC6A2SLC6A4
SCHEMBL4593433 0.88 SSTR5 (0.37) SSTR5SMN1; SMN2ALDH1A1HTTSLC6A2
SCHEMBL4594971 0.88 SSTR5 (0.34) SSTR5HRH1SMN1; SMN2ALDH1A1HTT
SCHEMBL5488867 0.87 SSTR5 (0.38) SSTR5HRH1HTR2BSMN1; SMN2ALDH1A1
SCHEMBL4594247 0.84 SSTR5 (0.39) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4593723 0.83 SSTR5 (0.55) SSTR5HRH1HTR2BSLC6A2SLC6A4
SCHEMBL4594274 0.83 REN (0.41) SSTR5SMN1; SMN2SLC6A2SLC6A4SLC6A3

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