SCHEMBL7986642

SCHEMBL7986642

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1Cc1nnn[nH]1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.61
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
ITGA4 P13612 1/20 0.48

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
Oxalic Acid SCHEMBL7989748 0.96 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL6596200 0.86 F2 (0.80) F2ESR1ESR2ITGA4
SCHEMBL7985988 0.85 F2 (0.54) F2ESR1ESR2ITGA4
SCHEMBL6597611 0.84 F2 (0.67) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7983157 0.84 ESR1 (0.64) F2ESR1ESR2
SCHEMBL7775907 0.82 F2 (0.74) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6593888 0.81 F2 (0.75) F2ESR1ESR2ITGA4
SCHEMBL6172878 0.81 ESR1 (0.66) F2ESR1ESR2ITGA4
SCHEMBL6596926 0.80 ITGA4 (0.69) F2ESR1ESR2ITGA4
Trifluoroacetic Acid SCHEMBL7983344 0.79 F2 (0.49) F2ESR1ESR2ITGA4

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
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed