SCHEMBL14722228

SCHEMBL14722228

CCN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
GPR119 Q8TDV5 8/20 0.37
CCR5 P51681 6/20 0.36
RORC P51449 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14722527 0.94 PDE4B (0.41) PDE4BGPR119CCR5RORCMEN1
SCHEMBL14722369 0.85 CHRM4 (0.42)
SCHEMBL14730281 0.84 MAOA (0.32)
SCHEMBL12064593 0.82 PDE4B (0.42) PDE4BGPR119RORCMEN1KMT2A
SCHEMBL14730266 0.81 GPR119 (0.36) GPR119
SCHEMBL14730220 0.81 TP53 (0.45) PDE4BRORCMEN1KMT2A
SCHEMBL470782 0.81 PDE4B (0.42) PDE4BRORC
SCHEMBL457195 0.80 PDE4B (0.42) PDE4BGPR119RORC
SCHEMBL14730269 0.80 NTRK1 (0.37) GPR119CCR5
SCHEMBL14730168 0.79 GPR119 (0.36) GPR119

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