SCHEMBL6599424

SCHEMBL6599424

O=C(O)c1cc2c(OCCO)cccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.75
ABCB11 O95342 1/20 0.56

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
SCHEMBL6597662 0.95 CCR2 (0.74) CCR2ABCB11
SCHEMBL7822444 0.91 CCR2 (0.74) CCR2ABCB11
SCHEMBL6594219 0.89 CCR2 (0.57) CCR2
SCHEMBL6596843 0.89 CCR2 (0.65) CCR2ABCB11
SCHEMBL6598184 0.89 CCR2 (0.65) CCR2ABCB11
SCHEMBL6598736 0.88 CCR2 (0.73) CCR2ABCB11
SCHEMBL6595293 0.86 CCR2 (0.70) CCR2ABCB11
SCHEMBL6308101 0.86 CCR2 (1.00) CCR2ABCB11
SCHEMBL6591932 0.84 CCR2 (0.64) CCR2ABCB11
SCHEMBL6596327 0.83 CCR2 (0.76) CCR2ABCB11

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