SCHEMBL458155

SCHEMBL458155

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(OCC3CCN(C(=O)OCc4ccccc4)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
GPR119 Q8TDV5 5/20 0.40
RORC P51449 2/20 0.40
GRIN2B Q13224 6/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
YAP1 P46937 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM4 P08173 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL12064782 0.90 PDE4B (0.42) PDE4BGPR119RORCLMNATP53
SCHEMBL459391 0.88 PDE4B (0.42) PDE4BGPR119RORCGRIN2BYAP1
SCHEMBL14730220 0.88 TP53 (0.45) PDE4BRORCLMNATP53CHRM4
SCHEMBL470782 0.88 PDE4B (0.42) PDE4BRORCGRIN2BLMNATP53
SCHEMBL458181 0.87 PDE4B (0.43) PDE4BGPR119RORCGRIN2BYAP1
SCHEMBL459423 0.86 GPR119 (0.41) GPR119MCHR1
SCHEMBL457195 0.86 PDE4B (0.42) PDE4BGPR119RORCGRIN2BYAP1
SCHEMBL470485 0.85 GPR119 (0.43) GPR119MCHR1
SCHEMBL14722527 0.85 PDE4B (0.41) PDE4BGPR119RORCLMNATP53
SCHEMBL458441 0.85 MCHR1 (0.51) GRIN2BCYP3A4CYP2D6CYP2C9MCHR1

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