SCHEMBL4361277

SCHEMBL4361277

O=C(NCCCO)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
CD274 Q9NZQ7 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NAMPT P43490 1/20 0.37
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
DPP4 P27487 1/20 0.35
LMNA P02545 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
SCHEMBL4533473 0.95 LMNA (0.40) CD274SLC6A2SLC6A4NAMPTLMNA
SCHEMBL4541177 0.91 LMNA (0.45) MAPK14SLC6A2SLC6A4NAMPTDRD2
SCHEMBL4354023 0.89 SMN1; SMN2 (0.44) MAPK14DRD2LMNA
SCHEMBL4540129 0.89 ALDH1A1 (0.43) MAPK14CD274NAMPTDRD2DRD3
SCHEMBL4538002 0.88 NPY2R (0.42) MAPK14CD274SLC6A4NAMPT
SCHEMBL4350134 0.88 CD274 (0.36) CD274SLC6A2SLC6A4NAMPTLMNA
SCHEMBL4532545 0.88 GPR119 (0.46) MAPK14CD274NAMPT
SCHEMBL4533472 0.86 KMT2A (0.44) SLC6A4DRD2DRD3
SCHEMBL4530802 0.86 LMNA (0.51) CD274SLC6A2SLC6A4LMNA
SCHEMBL4360517 0.86 NAMPT (0.41) CD274NAMPTLMNA

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed