SCHEMBL7986180

SCHEMBL7986180

O=C(O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)cc2)cc1.[LiH]

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.60
ESR1 P03372 7/20 0.50
ESR2 Q92731 7/20 0.50
ITGA4 P13612 1/20 0.50
HRH3 Q9Y5N1 2/20 0.46

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
Lithium Ion SCHEMBL7986184 0.90 F2 (0.59) F2ESR1ESR2ITGA4HRH3
SCHEMBL7983523 0.90 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7987881 0.87 F2 (0.67) F2ESR1ESR2
SCHEMBL6595837 0.86 F2 (0.76) F2ESR1ESR2ITGA4HRH3
Hydrochloric Acid SCHEMBL7413076 0.84 F2 (0.60) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL6173647 0.84 F2 (0.60) F2ESR1ESR2ITGA4
SCHEMBL7415846 0.84 F2 (0.62) F2ESR1ESR2ITGA4
SCHEMBL7452480 0.83 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL7972400 0.82 ESR1 (0.59) F2ESR1ESR2ITGA4
SCHEMBL6605492 0.82 F2 (0.53) 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