SCHEMBL8189552

SCHEMBL8189552

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.59
CTSB P07858 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
BACE1 P56817 1/20 0.45
CAPN1 P07384 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 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
SCHEMBL8195128 0.88 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8195130 0.88 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8173772 0.88 CCR3 (0.58) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7608481 0.87 CCR3 (0.66) CCR3CTSBCAPN1KMT2A
SCHEMBL8014171 0.87 CCR3 (0.66) CCR3CTSBCAPN1KMT2A
SCHEMBL8186342 0.86 CCR3 (0.61) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8010973 0.85 CCR3 (0.61) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8010976 0.85 CCR3 (0.61) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8010528 0.85 CCR3 (0.61) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8024409 0.85 CCR3 (0.61) 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 2 patents. 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
WO-2000027843-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO disclosed