SCHEMBL8014171

SCHEMBL8014171

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.66
CA2 P00918 1/20 0.55
ELANE P08246 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
CAPN1 P07384 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL7608481 1.00 CCR3 (0.66) CCR3CA2ELANEMEN1KMT2A
SCHEMBL8017638 0.89 CCR3 (0.58) CCR3MEN1KMT2ACTSB
SCHEMBL3930225 0.88 CCR3 (0.62) CCR3ELANE
SCHEMBL3930227 0.88 CCR3 (0.62) CCR3ELANE
SCHEMBL29447178 0.88 CCR3 (0.62) CCR3ELANE
SCHEMBL3926453 0.87 CCR3 (0.59) CCR3CAPN1CTSB
SCHEMBL3926458 0.87 CCR3 (0.59) CCR3CAPN1CTSB
SCHEMBL449457 0.87 CA2 (0.52) CCR3CA2ELANEMEN1KMT2A
SCHEMBL9716712 0.87 ELANE (0.64) ELANEMEN1KMT2ACAPN1CTSB
SCHEMBL10658026 0.87 ELANE (0.64) ELANEMEN1KMT2ACAPN1CTSB

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-2000027800-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO disclosed
WO-2000004003-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-27 WO disclosed