SCHEMBL2902783

SCHEMBL2902783

C[C@H]1C[C@@H](O)CN(CCCCN2CCN(C(=O)/C=C/c3ccc(Cl)c(F)c3)CCC2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 9/20 0.39
CCR2 P41597 3/20 0.37
PYGL P06737 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2902781 1.00 GPR183 (0.39) GPR183CCR2PYGLNPC1RAB9A
SCHEMBL2898974 0.94 PYGL (0.42) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2898971 0.94 PYGL (0.42) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2898977 0.94 PYGL (0.42) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2898969 0.94 PYGL (0.42) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2903279 0.93 GPR183 (0.46) GPR183CCR2PYGLNPC1RAB9A
SCHEMBL2903278 0.93 GPR183 (0.46) GPR183CCR2PYGLNPC1RAB9A
SCHEMBL2903013 0.92 GPR183 (0.41) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2903091 0.92 GPR183 (0.41) GPR183CCR2PYGLITGB2ICAM1
SCHEMBL2903011 0.92 GPR183 (0.41) GPR183CCR2PYGLITGB2ICAM1

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