SCHEMBL5214641

SCHEMBL5214641

CCOC(=O)c1c(OCCNC(=O)OC(C)(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2R P25116 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5214893 0.82 CCR2 (0.56) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5214910 0.78 CCR2 (0.58) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5213546 0.78 CCR2 (0.54) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5213680 0.76 CCR2 (0.65) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5214735 0.76 CCR2 (0.54) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5220453 0.76 CCR2 (0.53) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5216535 0.76 CCR2 (0.59) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL5214927 0.76 CCR2 (0.59) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL8688955 0.76 CCR2 (0.59) CCR2SMN1; SMN2LMNAMAPTGAA
SCHEMBL6302584 0.75 CCR2 (0.62) CCR2SMN1; SMN2LMNAMAPTGAA

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-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