SCHEMBL6597658

SCHEMBL6597658

O=C(O)c1cc2c(F)c(OCc3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.67
CCR2 P41597 19/20 0.62

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
SCHEMBL6595449 0.91 ABCB11 (0.55) ABCB11CCR2
SCHEMBL6598022 0.81 ABCB11 (1.00) ABCB11CCR2
SCHEMBL6595450 0.80 CCR2 (0.50) ABCB11CCR2
SCHEMBL4562830 0.77 CCR2 (0.51) ABCB11CCR2
SCHEMBL6300727 0.77 CCR2 (1.00) ABCB11CCR2
SCHEMBL3298276 0.77 CCR2 (0.51) ABCB11CCR2
SCHEMBL6303492 0.77 CCR2 (0.74) ABCB11CCR2
SCHEMBL6300905 0.76 CCR2 (1.00) ABCB11CCR2
SCHEMBL6300621 0.75 CCR2 (0.81) ABCB11CCR2
SCHEMBL7083186 0.75 MAPT (0.43) ABCB11CCR2

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
EP-1150952-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-10-27 EP disclosed