SCHEMBL2902870

SCHEMBL2902870

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCC(O)CN2CCCC(CO)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.45
GPR183 P32249 5/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC2A1 P11166 2/20 0.40
PYGL P06737 1/20 0.38
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2897740 0.94 GPR183 (0.45) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2905031 0.92 CCR2 (0.44) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903235 0.91 CCR2 (0.51) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL4246669 0.91 GPR183 (0.45) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2904479 0.90 GPR183 (0.44) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2899943 0.89 CCR2 (0.47) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2896881 0.89 CCR2 (0.47) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903970 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902864 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902866 0.89 GPR183 (0.49) CCR2GPR183NPC1RAB9ATDP1

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