SCHEMBL8515315

SCHEMBL8515315

Brc1csc(OCC2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 7/20 0.44
KDM1A O60341 6/20 0.44
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR3A P46098 2/20 0.42
KCNH2 Q12809 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
SLC6A3 Q01959 2/20 0.40
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL19511303 0.89 FFAR4 (0.37) EP300KDM1APIM1PIM2
SCHEMBL21747529 0.82 CCNK (0.40) PIM1PIM2
SCHEMBL8511650 0.76 IKBKB (0.40) SLC6A2SLC6A3IKBKBCHUK
SCHEMBL28700076 0.76 ARNT (0.30)
SCHEMBL8511906 0.75 FFAR4 (0.44) PIM1PIM2
SCHEMBL1103830 0.69 EP300 (0.56) EP300KDM1ATDP1
SCHEMBL20758267 0.68 TDP1 (0.56) EP300KDM1ASLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL16757775 0.68 EP300 (0.54) EP300KDM1ATDP1
SCHEMBL743307 0.68
Hydrochloric Acid SCHEMBL16757756 0.67 TDP1 (0.59) EP300KDM1ASLC6A2SLC6A4HTR3A

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-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed