SCHEMBL5220337

SCHEMBL5220337

CC(C)(C)OC(=O)c1c(Br)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.58
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RHEB Q15382 2/20 0.48
ABCB11 O95342 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F2R P25116 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 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
SCHEMBL5216535 0.86 CCR2 (0.59) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5213947 0.83 CCR2 (0.77) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6905142 0.82 CCR2 (0.55) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6905139 0.82 CCR2 (0.58) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6899592 0.81 CCR2 (0.52) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6300552 0.76 ABCB11 (0.53) CCR2MAPTCYP3A4ABCB11
SCHEMBL5213478 0.75 CCR2 (0.64) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL24482843 0.74 MAPK8 (0.55) CCR2MAPTALDH1A1GAA
SCHEMBL5213680 0.74 CCR2 (0.65) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6307042 0.74 CCR2 (0.77) CCR2LMNAMAPTALDH1A1CYP1A2

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