SCHEMBL4051573

SCHEMBL4051573

COCc1cc(Br)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.41
RBP4 P02753 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER1 P34995 2/20 0.40
LMNA P02545 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL4059921 0.86 GPR119 (0.45) KDM4E
SCHEMBL4049792 0.84 RBP4 (0.39) RBP4MEN1KMT2A
SCHEMBL4056499 0.81 NPY1R (0.40) CCR5KDM4ETDP1NPY1R
SCHEMBL19400190 0.81 MAPT (0.47) RBP4KDM4E
SCHEMBL4050230 0.81 PDE4B (0.45) MEN1KMT2A
SCHEMBL4051411 0.80 RBP4 (0.37) RBP4MEN1KMT2A
SCHEMBL4373911 0.79 CLK4 (0.42) RBP4ALDH1A1LMNAMEN1MAPK1
SCHEMBL18818371 0.79 XDH (0.47) PTGER1PTGDR2MEN1KMT2A
SCHEMBL4056993 0.78 PARP10 (0.45) RBP4
SCHEMBL4051853 0.77 GPR119 (0.44) RBP4

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-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed