SCHEMBL2903133

SCHEMBL2903133

COCC1CCCCN1CC(O)CCN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.40
GPR183 P32249 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2902192 0.91 GPR183 (0.42) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2905109 0.89 GPR183 (0.44) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903215 0.89 GPR183 (0.42) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2905031 0.87 CCR2 (0.44) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903236 0.86 CCR2 (0.43) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2901668 0.86 CCR2 (0.48) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2902550 0.85 CCR2 (0.43) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903982 0.84 GPR183 (0.41) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903978 0.84 GPR183 (0.41) CCR2GPR183NPC1RAB9ATDP1
SCHEMBL2903984 0.84 GPR183 (0.41) 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