SCHEMBL14730252

SCHEMBL14730252

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)F)no2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.37
NTRK1 P04629 3/20 0.35
VNN1 O95497 1/20 0.34
ACKR3 P25106 2/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
ALOX5AP P20292 1/20 0.32
BRAF P15056 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 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
SCHEMBL14730202 0.95 NTRK1 (0.35) GPR119NTRK1VNN1ACKR3NR1H2
SCHEMBL14730256 0.91 PDK2 (0.34) GPR119NTRK1VNN1ACKR3NR1H2
SCHEMBL14730312 0.91 GPR119 (0.36) GPR119NTRK1VNN1ACKR3NR1H2
SCHEMBL14730205 0.90 NTRK1 (0.34) GPR119NTRK1VNN1ACKR3NR1H2
SCHEMBL14730216 0.90 GPR119 (0.33) GPR119NTRK1VNN1ACKR3NR1H2
SCHEMBL14730318 0.89 NTRK1 (0.34) GPR119NTRK1ACKR3NR1H2NR1H3
SCHEMBL14730207 0.88 NTRK1 (0.34) NTRK1VNN1ACKR3NR1H2NR1H3
SCHEMBL14730212 0.88 NTRK1 (0.33) GPR119NTRK1ACKR3NR1H2NR1H3
SCHEMBL14730275 0.88 NTRK1 (0.34) GPR119NTRK1ACKR3NR1H2NR1H3
SCHEMBL14730263 0.86 GPR119 (0.35) GPR119NTRK1VNN1NR1H2NR1H3

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