SCHEMBL4649469

SCHEMBL4649469

COc1ccc(CNc2cccc3c2cc(C(=O)O)n3Cc2cccc(Cl)c2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.55
TP53 P04637 2/20 0.47
CES2 O00748 1/20 0.45
MAPT P10636 5/20 0.45
THRB P10828 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PLA2G2A P14555 1/20 0.43
F10 P00742 2/20 0.43
S1PR2 O95136 1/20 0.42

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
SCHEMBL4652792 0.86 CCR2 (0.49) CCR2TP53MAPTPLA2G2A
SCHEMBL4649957 0.80 CCR2 (0.53) CCR2MAPTPLA2G2AF10
SCHEMBL4649840 0.80 CCR2 (0.52) CCR2TP53MAPTPLA2G2AF10
SCHEMBL4650663 0.80 CCR2 (0.55) CCR2MAPTPLA2G2AF10
SCHEMBL4650169 0.78 CCR9 (0.55) CCR2
SCHEMBL4648818 0.76 CCR2 (0.53) CCR2MAPTF10
SCHEMBL4650004 0.76 CCR2 (0.54) CCR2MAPTPLA2G2AF10
SCHEMBL4748723 0.76 PTGES (0.51) CCR2PLA2G2A
SCHEMBL4807606 0.74 CCR2 (0.51) CCR2MAPTF10
SCHEMBL4649909 0.74 CCR2 (0.50) CCR2MAPTF10

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