SCHEMBL2899751

SCHEMBL2899751

CC1CCCN1CCN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 8/20 0.47
ITGB2 P05107 3/20 0.44
ICAM1 P05362 3/20 0.44
ITGAL P20701 3/20 0.44
SLC2A1 P11166 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL2897826 0.89 NPC1 (0.51) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904955 0.88 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904949 0.88 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904953 0.88 GPR183 (0.46) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903750 0.87 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903753 0.87 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2905109 0.87 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2896469 0.85 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902889 0.85 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2905269 0.85 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2

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