SCHEMBL6899592

SCHEMBL6899592

CC(C)(C)OC(=O)c1c(N2CCOCC2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.52
PIK3C2B O00750 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
RHEB Q15382 2/20 0.42
POLB P06746 1/20 0.42
ABCB11 O95342 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL6902224 0.85 CCR2 (0.67) CCR2PIK3C2BLMNAMAPTALDH1A1
SCHEMBL5220337 0.81 CCR2 (0.58) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5215970 0.73 CCR2 (0.50) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5215724 0.71 CCR2 (0.50) CCR2PIK3C2BLMNAMAPTALDH1A1
SCHEMBL5219974 0.71 CCR2 (0.63) CCR2PIK3C2BLMNAMAPTALDH1A1
SCHEMBL30449382 0.70 HDAC6 (0.61)
SCHEMBL5213478 0.70 CCR2 (0.64) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5213680 0.69 CCR2 (0.65) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6307042 0.69 CCR2 (0.77) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6599738 0.68 CCR2 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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