SCHEMBL8533555

SCHEMBL8533555

O=C(NCCO)c1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)O)CC3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CHRNA7 P36544 1/20 0.38
F10 P00742 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL8537358 0.95 ROCK1 (0.41) ROCK1MAPTL3MBTL1KMT2APOLB
SCHEMBL15253243 0.90 GPR119 (0.42) ROCK1MAPTL3MBTL1KMT2APOLB
SCHEMBL15253109 0.89 CHEK2 (0.42) MAPTL3MBTL1GPR119
SCHEMBL8535909 0.89 GPR119 (0.52) MAPTL3MBTL1KMT2ARAB9AGPR119
SCHEMBL9262615 0.88 KDM1A (0.42) ROCK1MAPTCHRNA7PLK1PLK3
SCHEMBL15253108 0.87 ROCK1 (0.38) ROCK1MAPTL3MBTL1RAB9ANPC1
SCHEMBL8530737 0.86 PIK3CD (0.41) L3MBTL1CHRNA7GPR119
SCHEMBL8533100 0.86 CSF1R (0.40) ROCK1L3MBTL1POLBRAB9ANPC1
SCHEMBL9256413 0.85 GPR119 (0.44) ROCK1MAPTRAB9ANPC1GPR119
SCHEMBL8530780 0.83 GPR119 (0.41) KMT2APOLBNPC1GPR119

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