SCHEMBL4792181

SCHEMBL4792181

CC(=O)N(C)[C@@H]1CC[C@@H](CN(C)CCCc2ccc(F)cc2)[C@H](NC(=O)Nc2ccc3[nH]nc(C)c3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.49
SSTR3 P32745 1/20 0.33
HTR1F P30939 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ITK Q08881 1/20 0.32
NTRK1 P04629 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL5373014 0.82 CCR3 (0.55) CCR3
SCHEMBL5381958 0.82 CCR3 (0.55) CCR3
SCHEMBL5383598 0.81 CCR3 (0.52) CCR3MCHR1
SCHEMBL5383613 0.81 CCR3 (0.52) CCR3MCHR1
SCHEMBL5383952 0.81 CCR3 (0.52) CCR3MCHR1
SCHEMBL5378357 0.80 CCR3 (0.54) CCR3
SCHEMBL4937847 0.79 CCR3 (0.48) CCR3
SCHEMBL5378128 0.79 CCR3 (0.48) CCR3
SCHEMBL5384056 0.79 CCR3 (0.48) CCR3
SCHEMBL5379001 0.78 CCR3 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed