SCHEMBL4052435

SCHEMBL4052435

COCc1cc(-c2ccc(S(C)(=O)=O)cn2)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.42
GPR183 P32249 1/20 0.42
SLC6A9 P48067 4/20 0.40
BRD4 O60885 3/20 0.40
FFAR4 Q5NUL3 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4051853 0.84 GPR119 (0.44) GPR119SLC6A9BRD4KCNH2
SCHEMBL4058702 0.83 SLC6A9 (0.49) GPR119SLC6A9BRD4KCNH2
SCHEMBL4051428 0.82 GPR119 (0.39) GPR119
SCHEMBL3980457 0.78 GPR119 (0.61) GPR119GPR183
SCHEMBL4051411 0.78 RBP4 (0.37) SLC6A9FFAR4
SCHEMBL13691402 0.77 GPR119 (0.56) GPR119
SCHEMBL4050230 0.77 PDE4B (0.45)
SCHEMBL13691385 0.77 GPR119 (0.50) GPR119
SCHEMBL4051573 0.76 CCR5 (0.41)
SCHEMBL388495 0.76 GPR119 (0.58) GPR119KCNH2

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
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed