SCHEMBL6595314

SCHEMBL6595314

COC(=O)c1cc2c(OCC(N)=O)c(OC)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.54
ABCB11 O95342 3/20 0.48
F10 P00742 1/20 0.42
PLAU P00749 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL6591954 0.91 CCR2 (0.55) CCR2ABCB11MAPTKMT2A
SCHEMBL6595648 0.91 CCR2 (0.66) CCR2ABCB11
SCHEMBL6600137 0.85 CCR2 (0.57) CCR2ABCB11MAPT
SCHEMBL6594432 0.83 CCR2 (0.68) CCR2ABCB11
SCHEMBL6594667 0.83 CCR2 (0.61) CCR2ABCB11MAPT
SCHEMBL6595640 0.81 CCR2 (0.48) CCR2ABCB11KMT2A
SCHEMBL6595112 0.75 CCR2 (0.59) CCR2ABCB11F10MAPT
SCHEMBL6785298 0.75 ABCB11 (0.76) CCR2ABCB11MAPT
SCHEMBL6595449 0.75 ABCB11 (0.55) CCR2ABCB11MAPTKMT2A
SCHEMBL6302533 0.74 CCR2 (0.63) CCR2ABCB11F10MAPTKMT2A

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-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed