SCHEMBL8009959

SCHEMBL8009959

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.55
BACE1 P56817 2/20 0.48
CTSB P07858 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL8017638 0.88 CCR3 (0.58) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8008853 0.85 CCR3 (0.55) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8010976 0.85 CCR3 (0.61) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8010973 0.85 CCR3 (0.61) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8008852 0.85 CCR3 (0.55) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8010564 0.84 CCR3 (0.62) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8010094 0.82 CCR3 (0.54) CCR3BACE1CTSBCTSVCTSL
SCHEMBL7998205 0.82 CCR3 (0.55) CCR3BACE1CTSBCTSVCTSL
SCHEMBL7998203 0.82 CCR3 (0.55) CCR3BACE1CTSBCTSVCTSL
SCHEMBL8014171 0.81 CCR3 (0.66) CCR3CTSB

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 4 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-2000027800-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO claimed
WO-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO disclosed
WO-2000027800-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-18 WO disclosed