SCHEMBL2899437

SCHEMBL2899437

CC1CN(CCCCN2CCN(C(=O)/C=C/c3ccc(F)c(Cl)c3)CCC2=O)CCC1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.42
PYGL P06737 2/20 0.42
GPR183 P32249 3/20 0.41
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
GAA P10253 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
SCHEMBL2903973 0.93 CCR2 (0.47) CCR2PYGLGPR183
SCHEMBL2902899 0.93 CCR2 (0.47) CCR2PYGLGPR183
SCHEMBL2903099 0.93 CCR2 (0.47) CCR2PYGLGPR183
SCHEMBL2899701 0.92 CCR2 (0.42) CCR2PYGLGPR183ITGB2ICAM1
SCHEMBL2897117 0.91 CCR2 (0.42) CCR2PYGLGPR183ITGB2ICAM1
SCHEMBL2897119 0.91 CCR2 (0.42) CCR2PYGLGPR183ITGB2ICAM1
SCHEMBL2902950 0.91 CCR2 (0.42) CCR2PYGLGPR183ITGB2ICAM1
SCHEMBL2899082 0.91 CCR2 (0.47) CCR2PYGLGPR183
SCHEMBL2897368 0.91 CCR2 (0.47) CCR2PYGLGPR183
SCHEMBL2904597 0.90 CCR2 (0.44) CCR2PYGLGPR183ITGB2ICAM1

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