SCHEMBL2903235

SCHEMBL2903235

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCC(O)CN2CCC(CO)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.51
GPR183 P32249 6/20 0.46
SLC2A1 P11166 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL2902870 0.91 CCR2 (0.45) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2897397 0.91 CCR2 (0.47) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2901668 0.91 CCR2 (0.48) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902868 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903972 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903970 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902855 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902866 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902864 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2899748 0.89 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A

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
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed