SCHEMBL4594440

SCHEMBL4594440

CCOc1cc(CN(c2nc3c(C(=O)NCC(=O)O)cccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.37
SSTR5 P35346 3/20 0.35
CHRM1 P11229 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4593298 0.93 HTR3A (0.36) HTR3ASSTR5CHRM1MEN1KMT2A
SCHEMBL4593471 0.90 SSTR5 (0.38) HTR3ASSTR5KCNH2SLC6A2SLC6A4
SCHEMBL4593884 0.90 HTR3A (0.37) HTR3ASSTR5MEN1KMT2AKCNH2
SCHEMBL4593974 0.90 LMNA (0.39) HTR3ASSTR5MEN1KMT2AKCNH2
SCHEMBL4594200 0.88 SSTR5 (0.37) HTR3ASSTR5KCNH2SLC6A2SLC6A4
SCHEMBL4593861 0.85 SGMS2 (0.40) RAB9ASMN1; SMN2MAPT
SCHEMBL4593431 0.84 LMNA (0.39) HTR3ASSTR5RAB9ALMNASMN1; SMN2
SCHEMBL4594275 0.83 HTR3A (0.36) HTR3ASSTR5KMT2AKCNH2SLC6A2
SCHEMBL4593624 0.81 SSTR5 (0.35) SSTR5MEN1KMT2AKCNH2RAB9A
SCHEMBL4593932 0.79 SSTR5 (0.38) HTR3ASSTR5KCNH2SLC6A2SLC6A4

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 4 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 claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
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