SCHEMBL2902891

SCHEMBL2902891

CN(CCO)CC(O)CN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR2 P41597 7/20 0.41
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 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
SCHEMBL2897167 0.90 GPR183 (0.44) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903021 0.86 NPC1 (0.53) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903019 0.86 NPC1 (0.53) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903015 0.86 NPC1 (0.53) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897306 0.85 GPR183 (0.48) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897308 0.85 GPR183 (0.48) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902895 0.84 GPR183 (0.47) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902894 0.84 GPR183 (0.47) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2897139 0.83 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2904444 0.81 GPR183 (0.52) 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