SCHEMBL8246602

SCHEMBL8246602

NC(=O)NCc1ccc(N2CC(CNC(=O)C3CC=C(Cl)S3)OC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.66
F2 P00734 2/20 0.43
ABCB11 O95342 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43

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
SCHEMBL13479673 0.91 F10 (0.66) F10ABCB11
SCHEMBL7999551 0.83 GRM2 (0.48) F10F2ABCB11ST14
SCHEMBL13479570 0.81 F10 (0.66) F10
SCHEMBL13103103 0.81 F10 (0.67) F10F2
SCHEMBL7982750 0.81 F10 (0.66) F10F2ABCB11ST14
SCHEMBL77413 0.79 F10 (1.00) F10F2ABCB11ST14
SCHEMBL7997701 0.79 F10 (0.45) F10F2ABCB11ST14
SCHEMBL7983038 0.79 F10 (0.48) F10F2ABCB11ST14
SCHEMBL7995877 0.79 F10 (0.45) F10F2ABCB11ST14
SCHEMBL7994083 0.79 F10 (0.45) F10F2ABCB11ST14

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
WO-2007042146-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG (DE) 2007-04-19 WO disclosed