SCHEMBL6598091

SCHEMBL6598091

COC(=O)c1cc2c(OC(C)N(C)C)cccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.62
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ABCB11 O95342 1/20 0.42
F10 P00742 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
SCHEMBL6598732 0.90 CCR2 (0.73) CCR2ABCB11
SCHEMBL6599157 0.90 CCR2 (0.66) CCR2KMT2AMAPTTP53ABCB11
SCHEMBL6598129 0.89 CCR2 (0.64) CCR2KMT2AMAPTTP53ABCB11
SCHEMBL6357264 0.85 CCR2 (0.65) CCR2KMT2AMAPTABCB11
SCHEMBL6596843 0.83 CCR2 (0.65) CCR2KMT2AMAPTABCB11F10
SCHEMBL6300567 0.83 CCR2 (0.67) CCR2KMT2AMAPTABCB11
SCHEMBL6598096 0.83 CCR2 (0.62) CCR2KMT2AMAPTABCB11F10
SCHEMBL6591932 0.83 CCR2 (0.64) CCR2KMT2AMAPTABCB11F10
SCHEMBL6598132 0.81 CCR2 (0.64) CCR2KMT2AMAPTABCB11F10
SCHEMBL6302533 0.81 CCR2 (0.63) CCR2KMT2AMAPTABCB11F10

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