SCHEMBL8021169

SCHEMBL8021169

CC(=O)C(NC(=O)c1cccc2ccccc12)C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
WDR5 P61964 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PDE2A O00408 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
PDE5A O76074 1/20 0.41
PDE9A O76083 1/20 0.41
PDE8B O95263 1/20 0.41
PDE6A P16499 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
SCHEMBL5580409 0.80 CCR3 (0.49) CCR3MEN1KMT2AWDR5LMNA
SCHEMBL5580155 0.78 CCR3 (0.48) CCR3MEN1KMT2AWDR5LMNA
SCHEMBL5580157 0.78 CCR3 (0.51) CCR3MEN1KMT2AWDR5LMNA
SCHEMBL5580147 0.75 CCR3 (0.55) CCR3MEN1KMT2AMAPTHTT
SCHEMBL8010964 0.73 CCR3 (0.46) CCR3MEN1KMT2AWDR5LMNA
Hydrochloric Acid SCHEMBL8026614 0.72 SMN1; SMN2 (0.45) MEN1KMT2ALMNAMAPTHTT
SCHEMBL8021167 0.71 CCR3 (0.60) CCR3
SCHEMBL7608481 0.70 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL8014171 0.70 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL3930227 0.70 CCR3 (0.62) CCR3ALDH1A1

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
WO-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO claimed
WO-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO disclosed