SCHEMBL4651966

SCHEMBL4651966

CC(C)c1ccc(CNc2ccc(Cl)c3c2cc(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.46
PTGER4 P35408 2/20 0.42
PTGDR Q13258 2/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL4654417 0.92 CCR2 (0.44) CCR2PTGER4PTGDRMRGPRX4
SCHEMBL4649922 0.92 CCR2 (0.46) CCR2PTGER4PTGDRMRGPRX4
SCHEMBL4650219 0.91 CCR2 (0.43) CCR2PTGER4PTGDRMRGPRX4
SCHEMBL4649957 0.87 CCR2 (0.53) CCR2PTGER4
SCHEMBL4649594 0.80 CCR2 (0.48) CCR2
SCHEMBL4650663 0.77 CCR2 (0.55) CCR2PTGER4
SCHEMBL4650169 0.75 CCR9 (0.55) CCR2
SCHEMBL4649066 0.73 CCR2 (0.43) CCR2PTGER4
SCHEMBL4650004 0.73 CCR2 (0.54) CCR2
SCHEMBL4651957 0.72 CCR2 (0.52) 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