SCHEMBL5213741

SCHEMBL5213741

CCOC(=O)c1c(C(=O)N(C)c2c(C)noc2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.48
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F10 P00742 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB11 O95342 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5213680 0.83 CCR2 (0.65) CCR2LMNAMAPTHTTGAA
SCHEMBL5213738 0.82 P2RX7 (0.49) CCR2LMNAMAPTHTTGAA
SCHEMBL6302584 0.80 CCR2 (0.62) CCR2LMNAMAPTHTTGAA
SCHEMBL5214863 0.80 CCR2 (0.76) CCR2LMNAMAPTHTTGAA
SCHEMBL5220576 0.77 CCR2 (0.61) CCR2LMNAMAPTHTTGAA
SCHEMBL8688955 0.75 CCR2 (0.59) CCR2LMNAMAPTHTTGAA
SCHEMBL5216535 0.75 CCR2 (0.59) CCR2LMNAMAPTHTTGAA
SCHEMBL5214927 0.75 CCR2 (0.59) CCR2LMNAMAPTHTTGAA
SCHEMBL5216641 0.73 MEN1 (0.63) CCR2LMNAMAPTHTTGAA
SCHEMBL5213262 0.73 CCR2 (0.57) CCR2LMNAMAPTHTTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed