SCHEMBL3551132

SCHEMBL3551132

COc1cccc(NC(=O)NCCCN2CCC(Oc3ccc(F)cc3)C2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.72
HTR2A P28223 7/20 0.71
ALOX15 P16050 1/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CCR1 P32246 1/20 0.57
CYP2D6 P10635 1/20 0.54
NPY1R P25929 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL5346177 0.93 CCR3 (0.70) CCR3HTR2AALOX15MEN1KMT2A
SCHEMBL6335910 0.83 CCR3 (1.00) CCR3HTR2AALOX15MEN1KMT2A
SCHEMBL6340084 0.82 CCR3 (0.76) CCR3HTR2AALOX15MEN1KMT2A
SCHEMBL6339155 0.82 CCR3 (0.87) CCR3HTR2AALOX15CYP2D6
SCHEMBL6330906 0.80 CCR3 (0.87) CCR3HTR2AALOX15MEN1KMT2A
SCHEMBL6339192 0.79 CCR3 (0.83) CCR3HTR2AALOX15CYP2D6
SCHEMBL6330741 0.79 CCR3 (0.79) CCR3HTR2AALOX15MEN1KMT2A
SCHEMBL6331972 0.79 CCR3 (0.84) CCR3HTR2AALOX15CYP2D6
SCHEMBL6330950 0.79 CCR3 (0.85) CCR3HTR2AALOX15
SCHEMBL5339240 0.78 CCR3 (0.81) CCR3HTR2AALOX15CCR1CYP2D6

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
US-7754758-B2 Pyrrolidine derivatives acting as CCR3-receptor antagonists NOVARTIS AG (CH) 2010-07-13 US disclosed