SCHEMBL1668515

SCHEMBL1668515

CC(C)c1ccc(CN2CC(Oc3ccc(N4CCN([S+](C)[O-])CC4)nc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
PANK3 Q9H999 4/20 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
SCHEMBL1668769 0.89 PRKAA2 (0.40) MEN1KMT2A
SCHEMBL1668252 0.83 GPR119 (0.49) ACACBMEN1KMT2AGPR119PANK3
SCHEMBL13894795 0.76 MEN1 (0.43) ACACBMEN1KMT2A
SCHEMBL3661425 0.76 MEN1 (0.43) ACACBMEN1KMT2A
SCHEMBL1668287 0.74 GPR119 (0.46) KMT2AGPR119
SCHEMBL1668614 0.73 PRKAA2 (0.39)
SCHEMBL1668307 0.72 KDR (0.45) ACACBMEN1KMT2AGPR119
SCHEMBL1668753 0.72 GPR119 (0.46) MEN1KMT2AGPR119
SCHEMBL1670864 0.72 GPR119 (0.46) MEN1KMT2AGPR119
SCHEMBL1668953 0.72 GPR119 (0.47) GPR119

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-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed