SCHEMBL2899072

SCHEMBL2899072

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCCCN2CCN(C3CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.52
CCR2 P41597 4/20 0.50
PYGL P06737 10/20 0.48
SLC2A1 P11166 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2899068 1.00 GPR183 (0.52) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2899972 0.98 GPR183 (0.52) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2899974 0.98 GPR183 (0.52) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2903668 0.96 GPR183 (0.50) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2903314 0.96 GPR183 (0.50) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2904897 0.95 GPR183 (0.50) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2904898 0.95 GPR183 (0.50) GPR183CCR2PYGLSLC2A1NPC1
SCHEMBL2904455 0.92 PYGL (0.47) GPR183CCR2PYGLSLC2A1
SCHEMBL2904453 0.92 PYGL (0.47) GPR183CCR2PYGLSLC2A1
SCHEMBL2899723 0.89 CCR2 (0.54) GPR183CCR2PYGLSLC2A1NPC1

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