SCHEMBL4650169

SCHEMBL4650169

CC(C)(C)c1ccc(CNc2cccc3c2cc(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 12/20 0.55
CCR2 P41597 8/20 0.53

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
SCHEMBL4650004 0.91 CCR2 (0.54) CCR9CCR2
SCHEMBL4650663 0.89 CCR2 (0.55) CCR9CCR2
SCHEMBL4649957 0.88 CCR2 (0.53) CCR9CCR2
SCHEMBL4648818 0.85 CCR2 (0.53) CCR9CCR2
SCHEMBL4748723 0.84 PTGES (0.51) CCR2
SCHEMBL4807606 0.83 CCR2 (0.51) CCR2
SCHEMBL4649909 0.83 CCR2 (0.50) CCR2
SCHEMBL4649594 0.81 CCR2 (0.48) CCR2
SCHEMBL4653137 0.80 CCR2 (0.47) CCR2
SCHEMBL4649469 0.78 CCR2 (0.55) CCR2

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
EP-1904487-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006067392-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed