SCHEMBL8021167

SCHEMBL8021167

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.60
CASP1 P29466 5/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8018610 0.88 CCR3 (0.57) CCR3
SCHEMBL8014171 0.86 CCR3 (0.66) CCR3
SCHEMBL7608481 0.86 CCR3 (0.66) CCR3
SCHEMBL29447178 0.83 CCR3 (0.62) CCR3
SCHEMBL3930225 0.83 CCR3 (0.62) CCR3
SCHEMBL3930227 0.83 CCR3 (0.62) CCR3
SCHEMBL3926453 0.82 CCR3 (0.59) CCR3
SCHEMBL3926458 0.82 CCR3 (0.59) CCR3
SCHEMBL3935453 0.81 CCR3 (0.67) CCR3
SCHEMBL3935460 0.81 CCR3 (0.67) 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
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