SCHEMBL13639778

SCHEMBL13639778

O=C(O)CCC1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GCK P35557 1/20 0.37
DGAT1 O75907 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
SCHEMBL999793 0.87 SMN1; SMN2 (0.43) GCK
SCHEMBL998535 0.86 SMN1; SMN2 (0.40)
SCHEMBL999458 0.85 SMN1; SMN2 (0.43) GCK
SCHEMBL1002043 0.84 ALDH1A1 (0.41) GCK
SCHEMBL999243 0.83 SMN1; SMN2 (0.39) GCK
SCHEMBL999241 0.83 SMN1; SMN2 (0.39) GCK
SCHEMBL999866 0.83 MAPT (0.41)
SCHEMBL1002171 0.82 SMN1; SMN2 (0.38) GCK
SCHEMBL996578 0.81 MAPT (0.39) GCK
SCHEMBL999341 0.81 MAPT (0.39) GCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723128-B1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-11-07 EP disclosed