SCHEMBL2901668

SCHEMBL2901668

COCC1CCN(CC(O)CCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.48
SLC2A1 P11166 2/20 0.44
GPR183 P32249 5/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2896767 0.93 CCR2 (0.50) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2905031 0.92 CCR2 (0.44) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903235 0.91 CCR2 (0.51) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2897397 0.90 CCR2 (0.47) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2902550 0.90 CCR2 (0.43) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903236 0.90 CCR2 (0.43) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903185 0.88 CCR2 (0.53) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2896245 0.88 CCR2 (0.53) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2896240 0.88 CCR2 (0.53) CCR2SLC2A1GPR183NPC1RAB9A
SCHEMBL2903188 0.88 CCR2 (0.53) 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