SCHEMBL8009958

SCHEMBL8009958

C[C@@](NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)(C(N)=O)N(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.51
CTSB P07858 2/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CAPN1 P07384 1/20 0.41
BACE1 P56817 1/20 0.41
KCNA5 P22460 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL8024921 0.85 CCR3 (0.53) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8013833 0.81 CCR3 (0.52) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8009960 0.81 CCR3 (0.53) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7998209 0.81 CCR3 (0.51) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7998205 0.80 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7998203 0.80 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7608481 0.79 CCR3 (0.66) CCR3CTSBCAPN1CA2
SCHEMBL8014171 0.79 CCR3 (0.66) CCR3CTSBCAPN1CA2
SCHEMBL8009959 0.78 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8017638 0.78 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 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 claimed
WO-2000027800-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO disclosed