SCHEMBL14730202

SCHEMBL14730202

CN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nc(C(C)(C)C)no2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.35
VNN1 O95497 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
ACKR3 P25106 2/20 0.34
BRAF P15056 2/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
ALOX5AP P20292 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
MAPT P10636 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP46A1 Q9Y6A2 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
SCHEMBL14730252 0.95 GPR119 (0.37) NTRK1VNN1GPR119ACKR3BRAF
SCHEMBL14730216 0.95 GPR119 (0.33) NTRK1VNN1GPR119ACKR3BRAF
SCHEMBL14730312 0.92 GPR119 (0.36) NTRK1VNN1GPR119ACKR3BRAF
SCHEMBL14730205 0.91 NTRK1 (0.34) NTRK1VNN1GPR119ACKR3BRAF
SCHEMBL14730256 0.91 PDK2 (0.34) NTRK1VNN1GPR119ACKR3BRAF
SCHEMBL14730207 0.88 NTRK1 (0.34) NTRK1VNN1ACKR3BRAFEIF2AK4
SCHEMBL14730318 0.88 NTRK1 (0.34) NTRK1GPR119ACKR3EIF2AK4NR1H2
SCHEMBL14730212 0.87 NTRK1 (0.33) NTRK1GPR119ACKR3EIF2AK4NR1H2
SCHEMBL14730275 0.87 NTRK1 (0.34) NTRK1GPR119ACKR3EIF2AK4NR1H2
SCHEMBL14730263 0.87 GPR119 (0.35) NTRK1VNN1GPR119BRAFEIF2AK4

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