SCHEMBL7998205

SCHEMBL7998205

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.55
CTSB P07858 2/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
BACE1 P56817 1/20 0.44
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CAPN1 P07384 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
SCHEMBL7998203 1.00 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8007434 0.90 CCR3 (0.53) CCR3CTSBCTSVCTSLCTSS
SCHEMBL7608481 0.83 CCR3 (0.66) CCR3CTSBCAPN1
SCHEMBL8014171 0.83 CCR3 (0.66) CCR3CTSBCAPN1
SCHEMBL8009959 0.82 CCR3 (0.55) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8017638 0.82 CCR3 (0.58) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8189552 0.81 CCR3 (0.59) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8173772 0.81 CCR3 (0.58) CCR3CTSBCTSVCTSLCTSS
SCHEMBL8009960 0.80 CCR3 (0.53) CCR3CTSBCTSVCTSLCTSS
SCHEMBL3930227 0.80 CCR3 (0.62) 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-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