SCHEMBL7417013

SCHEMBL7417013

CN(C)NC(=O)COc1ccc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.56
ESR1 P03372 9/20 0.55
ESR2 Q92731 9/20 0.55
ITGA4 P13612 1/20 0.53

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
Hydrochloric Acid SCHEMBL7418352 0.91 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7411478 0.89 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7414828 0.89 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7415846 0.87 F2 (0.62) F2ESR1ESR2ITGA4
SCHEMBL7413355 0.86 F2 (0.61) F2ESR1ESR2ITGA4
SCHEMBL6596926 0.86 ITGA4 (0.69) F2ESR1ESR2ITGA4
SCHEMBL7414299 0.85 F2 (0.58) F2ESR1ESR2ITGA4
SCHEMBL6596335 0.85 ITGA4 (0.68) F2ESR1ESR2ITGA4
SCHEMBL6595726 0.84 F2 (0.61) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7414861 0.84 F2 (0.57) 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-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed