SCHEMBL6623481

SCHEMBL6623481

CCc1cc(NC(=O)NCC[C@@H](CO)N2CC(Oc3ccc(Cl)cc3)C2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 4/20 0.34
EPHX2 P34913 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR3 P51677 1/20 0.34
SCN9A Q15858 1/20 0.33
TP53 P04637 1/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6622074 0.92 SCN9A (0.37) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6620167 0.91 CCR3 (0.41) MAPTACACBCCR3SCN9ATP53
SCHEMBL6620915 0.88 CYP3A4 (0.43) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5762925 0.84 MAPT (0.36) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5761023 0.83 MAPT (0.38) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5762210 0.83 MAPT (0.35) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5333712 0.81 MAPT (0.36) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6620453 0.81 SCN9A (0.35) MAPTMEN1KMT2AACACBEPHX2
SCHEMBL6620293 0.80 CNR1 (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6702187 0.78 CCR3 (0.42) CCR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 WO disclosed