SCHEMBL6905142

SCHEMBL6905142

CCCCOC(=O)c1c(Br)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.55
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCB11 O95342 1/20 0.44
F10 P00742 3/20 0.42
F2 P00734 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 1/20 0.40

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 0.90 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL5220337 0.82 CCR2 (0.58) CCR2LMNAMAPTGAAHTT
SCHEMBL6905139 0.82 CCR2 (0.58) CCR2LMNAMAPTGAAHTT
SCHEMBL5213947 0.81 CCR2 (0.77) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5213680 0.78 CCR2 (0.65) CCR2LMNAMAPTGAAHTT
SCHEMBL8688955 0.77 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL5214927 0.77 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL2206316 0.77 KMT2A (0.56) GAAHTTALDH1A1HPGD
SCHEMBL6780153 0.77 ABCB11 (0.54) CCR2LMNAMAPTGAAHTT
SCHEMBL5214863 0.76 CCR2 (0.76) CCR2LMNAMAPTGAAHTT

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 1 patent. 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