SCHEMBL8511650

SCHEMBL8511650

Brc1csc(OC2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
CHUK O15111 2/20 0.40
HRH1 P35367 3/20 0.40
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ROCK1 Q13464 2/20 0.34
LCK P06239 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 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
SCHEMBL19510937 0.84 FFAR4 (0.36)
SCHEMBL25145928 0.76 PLAT (0.38) IKBKBCHUKHRH1CTSLCTSB
SCHEMBL8515315 0.76 EP300 (0.44) IKBKBCHUKSLC6A2SLC6A3
SCHEMBL8513265 0.74 HRH3 (0.33)
SCHEMBL8515255 0.73 FFAR4 (0.38) IKBKBCHUK
SCHEMBL21746144 0.71 HRH1 (0.41) IKBKBCHUKHRH1ROCK1HTR1A
SCHEMBL6179188 0.70 HRH1 (0.43) IKBKBCHUKHRH1ROCK1HTR1A
SCHEMBL23702894 0.68 CHRNB2 (0.38) HTR1ASLC6A2
SCHEMBL23702898 0.68 CHRNB2 (0.38) HTR1ASLC6A2
SCHEMBL2591565 0.67 ACACB (0.53) IKBKBCHUKHRH1

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