SCHEMBL8230522

SCHEMBL8230522

O=C(NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NNN1CCCC1)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.58
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
CTSB P07858 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSV O60911 1/20 0.42
WDR5 P61964 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
BACE1 P56817 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
SCHEMBL8185569 1.00 CCR3 (0.58) CCR3LMNAPOLBGAACTSB
SCHEMBL8173772 0.83 CCR3 (0.58) CCR3CTSBCTSLCTSSCTSV
SCHEMBL8189552 0.83 CCR3 (0.59) CCR3GAACTSBCTSLCTSS
SCHEMBL8013835 0.82 CCR3 (0.53) CCR3GAACTSBCTSLCTSS
SCHEMBL7998214 0.82 CCR3 (0.52) CCR3LMNAPOLBGAACTSB
SCHEMBL8014171 0.81 CCR3 (0.66) CCR3CTSBMEN1KMT2A
SCHEMBL7608481 0.81 CCR3 (0.66) CCR3CTSBMEN1KMT2A
SCHEMBL8013833 0.81 CCR3 (0.52) CCR3GAACTSBCTSLCTSS
SCHEMBL7998209 0.81 CCR3 (0.51) CCR3GAACTSBCTSLCTSS
SCHEMBL8192895 0.80 CCR3 (0.59) CCR3CTSBCTSLCTSSCTSV

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
WO-2000027843-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO claimed