SCHEMBL8013833

SCHEMBL8013833

C[C@@](NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)(C(N)=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.52
GAA P10253 1/20 0.42
F2 P00734 2/20 0.41
CTSB P07858 3/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
WDR5 P61964 1/20 0.41
CAPN1 P07384 1/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7998209 0.99 CCR3 (0.51) CCR3GAAF2CTSBCTSV
SCHEMBL8024921 0.84 CCR3 (0.53) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8013835 0.82 CCR3 (0.53) CCR3GAAF2CTSBCTSV
SCHEMBL8009958 0.81 CCR3 (0.51) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8185569 0.81 CCR3 (0.58) CCR3GAACTSBCTSVCTSL
SCHEMBL8230522 0.81 CCR3 (0.58) CCR3GAACTSBCTSVCTSL
SCHEMBL7998214 0.81 CCR3 (0.52) CCR3GAAF2CTSBCTSV
SCHEMBL7608481 0.77 CCR3 (0.66) CCR3CTSBCAPN1MEN1KMT2A
SCHEMBL8014171 0.77 CCR3 (0.66) CCR3CTSBCAPN1MEN1KMT2A
SCHEMBL8017638 0.77 CCR3 (0.58) CCR3CTSBCTSVCTSLCTSS

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-2000027800-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO claimed