SCHEMBL2899259

SCHEMBL2899259

O=C(C=Cc1ccc(F)c(Cl)c1)N1CCC(=O)N(CCCN2CCC(CO)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.50
PYGL P06737 2/20 0.44
SLC2A1 P11166 2/20 0.43
GPR183 P32249 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2899254 1.00 CCR2 (0.50) CCR2PYGLSLC2A1GPR183MEN1
SCHEMBL2922190 0.98 CCR2 (0.50) CCR2PYGLSLC2A1GPR183MEN1
SCHEMBL2922192 0.98 CCR2 (0.50) CCR2PYGLSLC2A1GPR183MEN1
SCHEMBL2904879 0.92 CCR2 (0.56) CCR2PYGLSLC2A1GPR183
SCHEMBL2904880 0.92 CCR2 (0.56) CCR2PYGLSLC2A1GPR183
SCHEMBL2905012 0.91 CCR2 (0.47) CCR2PYGLSLC2A1GPR183
SCHEMBL2905016 0.91 CCR2 (0.47) CCR2PYGLSLC2A1GPR183
SCHEMBL2903826 0.91 CCR2 (0.56) CCR2PYGLSLC2A1GPR183
SCHEMBL2903823 0.91 CCR2 (0.56) CCR2PYGLSLC2A1GPR183
SCHEMBL2897030 0.90 CCR2 (0.47) CCR2PYGLSLC2A1GPR183

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