SCHEMBL7998214

SCHEMBL7998214

NC(=O)[C@H](CN1CCCCC1)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.52
CTSB P07858 3/20 0.44
CAPN1 P07384 1/20 0.44
GAA P10253 1/20 0.41
WDR5 P61964 1/20 0.41
F2 P00734 2/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL8013835 0.99 CCR3 (0.53) CCR3CTSBCAPN1GAAWDR5
SCHEMBL7998209 0.82 CCR3 (0.51) CCR3CTSBCAPN1GAAWDR5
SCHEMBL8185569 0.82 CCR3 (0.58) CCR3CTSBGAAWDR5BACE1
SCHEMBL8230522 0.82 CCR3 (0.58) CCR3CTSBGAAWDR5BACE1
SCHEMBL8013833 0.81 CCR3 (0.52) CCR3CTSBCAPN1GAAWDR5
SCHEMBL8009960 0.81 CCR3 (0.53) CCR3CTSBCAPN1BACE1CTSV
SCHEMBL7608481 0.78 CCR3 (0.66) CCR3CTSBCAPN1
SCHEMBL8014171 0.78 CCR3 (0.66) CCR3CTSBCAPN1
SCHEMBL8017638 0.78 CCR3 (0.58) CCR3CTSBBACE1CTSVCTSL
SCHEMBL8192895 0.77 CCR3 (0.59) CCR3CTSBCAPN1BACE1CTSV

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 1 patent. 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