SCHEMBL470782

SCHEMBL470782

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(/C=C/C3CCN(C(=O)OCc4ccccc4)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
RORC P51449 2/20 0.39
NTRK1 P04629 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
NPY5R Q15761 4/20 0.36
GRIN2B Q13224 3/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL458155 0.88 PDE4B (0.43) PDE4BRORCTP53LMNAGRIN2B
SCHEMBL14730220 0.88 TP53 (0.45) PDE4BRORCNTRK1TP53LMNA
SCHEMBL14722527 0.87 PDE4B (0.41) PDE4BRORCNTRK1TP53LMNA
SCHEMBL12064782 0.86 PDE4B (0.42) PDE4BRORCNTRK1TP53LMNA
SCHEMBL459391 0.81 PDE4B (0.42) PDE4BRORCGRIN2B
SCHEMBL14722228 0.81 PDE4B (0.42) PDE4BRORC
SCHEMBL458181 0.80 PDE4B (0.43) PDE4BRORCGRIN2B
SCHEMBL457195 0.79 PDE4B (0.42) PDE4BRORCGRIN2B
SCHEMBL470735 0.78 NTRK1 (0.42) RORCNTRK1NPY5RF2R
SCHEMBL12064593 0.77 PDE4B (0.42) PDE4BRORCGRIN2B

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed