SCHEMBL2720143

SCHEMBL2720143

CS(=O)(=O)Nc1cc(F)c(N2CCC(=NOC3CCN(C(=O)O)CC3)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.35
ACLY P53396 4/20 0.34
TRPV1 Q8NER1 6/20 0.33
SLC6A9 P48067 1/20 0.33
MTHFD1 P11586 1/20 0.33
MTHFD2 P13995 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL2183071 0.88 GPR119 (0.44) GPR119
SCHEMBL2184142 0.83 SLC6A9 (0.49) GPR119SLC6A9
SCHEMBL2733039 0.82 MEN1 (0.32) FFAR4
SCHEMBL2721042 0.81 GPR119 (0.33) GPR119FFAR4
SCHEMBL12414611 0.81 GPR119 (0.42) GPR119
SCHEMBL2731984 0.81 FFAR4 (0.34) SLC6A9FFAR4
SCHEMBL2720999 0.80 FFAR4 (0.34) FFAR4
SCHEMBL2720992 0.79 FFAR4 (0.35) FFAR4
SCHEMBL2182681 0.75 GPR119 (0.40) GPR119
SCHEMBL12413810 0.75 MAPT (0.36) GPR119FFAR4

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-2445878-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed