SCHEMBL4649957

SCHEMBL4649957

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.53
MAPT P10636 1/20 0.44
CCR9 P51686 1/20 0.43
F10 P00742 1/20 0.43
PLA2G2A P14555 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
PTGER4 P35408 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
SCHEMBL4649594 0.93 CCR2 (0.48) CCR2MAPTF10PTGES2
SCHEMBL4650663 0.90 CCR2 (0.55) CCR2MAPTCCR9F10PLA2G2A
SCHEMBL4654417 0.88 CCR2 (0.44) CCR2MAPTPLA2G2APTGER4
SCHEMBL4650169 0.88 CCR9 (0.55) CCR2CCR9
SCHEMBL4651966 0.87 CCR2 (0.46) CCR2PTGER4
SCHEMBL4649922 0.86 CCR2 (0.46) CCR2PLA2G2APTGER4
SCHEMBL4650004 0.86 CCR2 (0.54) CCR2MAPTCCR9F10PLA2G2A
SCHEMBL4650219 0.85 CCR2 (0.43) CCR2CCR9PLA2G2APTGER4
SCHEMBL4651957 0.85 CCR2 (0.52) CCR2MAPTCCR9PLA2G2A
SCHEMBL4649066 0.84 CCR2 (0.43) CCR2F10PTGES2PTGER4

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