SCHEMBL2902329

SCHEMBL2902329

COC1CCC(CO)N(CCCCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.42
CCR2 P41597 11/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC2A1 P11166 2/20 0.38
PYGL P06737 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
SCHEMBL2899720 0.93 CCR2 (0.35) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904370 0.90 GPR183 (0.39) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2897127 0.89 CCR2 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902944 0.86 CCR2 (0.43) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2902946 0.86 CCR2 (0.43) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2897087 0.86 GPR183 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2904268 0.85 GPR183 (0.45) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2905082 0.85 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2905074 0.85 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1
SCHEMBL2905076 0.85 GPR183 (0.46) GPR183CCR2NPC1RAB9ATDP1

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