SCHEMBL14730256

SCHEMBL14730256

Cc1ccc(F)c([C@H]2CN(c3ncc(C(=O)N(C)C4CCN(c5nc(C(C)(F)F)no5)CC4)cn3)C[C@@H]2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
SYK P43405 2/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 2/20 0.33
GPR119 Q8TDV5 5/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
ALOX5AP P20292 1/20 0.32
BRAF P15056 2/20 0.31
KCNH2 Q12809 2/20 0.31
NTRK1 P04629 1/20 0.31
VNN1 O95497 1/20 0.31
EGFR P00533 1/20 0.30
KCNE1 P15382 1/20 0.30
ACKR3 P25106 1/20 0.30

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
SCHEMBL14730216 0.96 GPR119 (0.33) PDK2SYKNR1H2NR1H3GPR119
SCHEMBL14730268 0.94 GPR119 (0.35) SYKNR1H2GPR119HDAC4HDAC6
SCHEMBL14730259 0.92 PDK2 (0.36) PDK2SYKNR1H2NR1H3GPR119
SCHEMBL14730263 0.91 GPR119 (0.35) PDK2SYKNR1H2NR1H3GPR119
SCHEMBL14730252 0.91 GPR119 (0.37) SYKNR1H2NR1H3GPR119HDAC4
SCHEMBL14730327 0.91 GPR119 (0.35) PDK2SYKNR1H2NR1H3GPR119
SCHEMBL14730175 0.91 SYK (0.32) PDK2SYKNR1H2NR1H3HDAC4
SCHEMBL14730202 0.91 NTRK1 (0.35) NR1H2NR1H3GPR119HDAC4HDAC6
SCHEMBL14730318 0.88 NTRK1 (0.34) NR1H2NR1H3GPR119HDAC4HDAC6
SCHEMBL14730242 0.87 ALOX5AP (0.36) PDK2GPR119ALOX5APBRAFKCNH2

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