SCHEMBL16705278

SCHEMBL16705278

CCc1csc(C2CCN(c3ncc(C(C)C)cn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
DRD2 P14416 3/20 0.36
HTR2A P28223 3/20 0.36
HRH1 P35367 2/20 0.36
SLC6A3 Q01959 2/20 0.36
OGA O60502 2/20 0.34
CETP P11597 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL12036204 0.86 GPR119 (0.61) GPR119
SCHEMBL12071830 0.79 GPR119 (0.58) GPR119
SCHEMBL1118249 0.79 GPR119 (0.58) GPR119SMN1; SMN2
SCHEMBL13634287 0.75 ERBB2 (0.39) GPR119DRD2HTR2AHRH1SLC6A3
SCHEMBL20040544 0.74 GPR119 (0.53) GPR119OGA
SCHEMBL12387815 0.74 SLC6A3 (0.47) GPR119DRD2HTR2AHRH1SLC6A3
SCHEMBL18714938 0.72 HRH3 (0.39) GPR119OGACETPALDH1A1HRH4
SCHEMBL1364634 0.72 SLC6A3 (0.40) GPR119DRD2HTR2ASLC6A3ALDH1A1
SCHEMBL12771442 0.72 ACHE (0.45) GPR119OGAALDH1A1HRH4HRH3
SCHEMBL13634289 0.71 DRD2 (0.46) DRD2HTR2AHRH1ALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280704-B1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2015-05-13 EP disclosed