SCHEMBL2903236

SCHEMBL2903236

COCC1CN(CC(O)CCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)CCC1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.43
GPR183 P32249 5/20 0.41
SLC2A1 P11166 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2898703 0.94 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902550 0.93 CCR2 (0.43) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2901668 0.90 CCR2 (0.48) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2904591 0.90 CCR2 (0.45) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2905031 0.88 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2902597 0.87 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2903133 0.86 CCR2 (0.40) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2904548 0.86 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2904546 0.86 CCR2 (0.44) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2904543 0.86 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