SCHEMBL8024409

SCHEMBL8024409

O=C(CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.61
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
BACE1 P56817 1/20 0.44
FPR1 P21462 2/20 0.44
FPR2 P25090 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL8010528 1.00 CCR3 (0.61) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8010976 0.85 CCR3 (0.61) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8010973 0.85 CCR3 (0.61) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8189552 0.85 CCR3 (0.59) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8192895 0.84 CCR3 (0.59) CCR3CTSVCTSLCTSBCTSS
SCHEMBL7608481 0.83 CCR3 (0.66) CCR3CTSBMEN1KMT2A
SCHEMBL8014171 0.83 CCR3 (0.66) CCR3CTSBMEN1KMT2A
SCHEMBL8173772 0.81 CCR3 (0.58) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8017638 0.81 CCR3 (0.58) CCR3CTSVCTSLCTSBCTSS
SCHEMBL8007942 0.81 CCR3 (0.57) CCR3CTSVCTSLCTSBCTSS

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