SCHEMBL2904879

SCHEMBL2904879

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCCN2CCC(CO)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.56
SLC2A1 P11166 2/20 0.51
GPR183 P32249 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PYGL P06737 5/20 0.45

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
SCHEMBL2904880 1.00 CCR2 (0.56) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903826 0.98 CCR2 (0.56) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903823 0.98 CCR2 (0.56) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2896347 0.95 CCR2 (0.58) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2896343 0.95 CCR2 (0.58) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2899254 0.92 CCR2 (0.50) CCR2SLC2A1GPR183PYGL
SCHEMBL2899259 0.92 CCR2 (0.50) CCR2SLC2A1GPR183PYGL
SCHEMBL2904715 0.91 CCR2 (0.54) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903112 0.91 CCR2 (0.54) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2904719 0.91 CCR2 (0.54) CCR2SLC2A1GPR183NPC1RAB9A

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