SCHEMBL2896240

SCHEMBL2896240

COCC1CCN(CCCCN2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CCC2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.53
SLC2A1 P11166 2/20 0.48
GPR183 P32249 2/20 0.46
PYGL P06737 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2896245 1.00 CCR2 (0.53) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903185 0.98 CCR2 (0.53) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903188 0.98 CCR2 (0.53) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903416 0.93 CCR2 (0.47) CCR2SLC2A1PYGL
SCHEMBL2903419 0.93 CCR2 (0.47) CCR2SLC2A1PYGL
SCHEMBL2902988 0.91 CCR2 (0.46) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903194 0.91 CCR2 (0.46) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903826 0.90 CCR2 (0.56) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2903823 0.90 CCR2 (0.56) CCR2SLC2A1GPR183PYGLNPC1
SCHEMBL2902442 0.90 CCR2 (0.46) CCR2SLC2A1GPR183PYGLNPC1

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