SCHEMBL14722778

SCHEMBL14722778

COCC(C)c1nc(N2CCC(N(C(=O)c3cnc(N4CC(NC(=O)OC(C)(C)C)C(c5cc(F)ccc5F)C4)nc3)C3CC3)CC2)no1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 2/20 0.33
GPR119 Q8TDV5 12/20 0.33
NTRK1 P04629 3/20 0.33
EIF2AK4 Q9P2K8 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
SCHEMBL14722774 0.88 GPR119 (0.34) NR1H2GPR119NTRK1EIF2AK4
SCHEMBL14730243 0.83 GPR119 (0.36) GPR119NTRK1
SCHEMBL14730179 0.81 GPR119 (0.34) NR1H2GPR119NTRK1
SCHEMBL14730227 0.81 NTRK1 (0.34) NR1H2GPR119NTRK1
SCHEMBL6128597 0.81 GPR119 (0.40) GPR119NTRK1
SCHEMBL14730229 0.81 GPR119 (0.40) GPR119NTRK1
SCHEMBL14722672 0.81 GPR119 (0.40) GPR119NTRK1
SCHEMBL14730325 0.80 NTRK1 (0.33) NR1H2NR1H3GPR119NTRK1EIF2AK4
SCHEMBL14730205 0.79 NTRK1 (0.34) NR1H2NR1H3GPR119NTRK1EIF2AK4
SCHEMBL14730202 0.78 NTRK1 (0.35) NR1H2NR1H3GPR119NTRK1EIF2AK4

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed