SCHEMBL6604504

SCHEMBL6604504

O=Cc1cc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)ccc1OCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.58
ITGA4 P13612 1/20 0.55
ESR1 P03372 6/20 0.52
ESR2 Q92731 6/20 0.52
LTA4H P09960 3/20 0.47

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
SCHEMBL7983860 0.92 F2 (0.53) F2ITGA4ESR1ESR2
SCHEMBL7983864 0.91 F2 (0.52) F2ITGA4ESR1ESR2
SCHEMBL6603846 0.91 ESR1 (0.52) F2ITGA4ESR1ESR2
Oxalic Acid SCHEMBL7989671 0.89 ESR1 (0.50) F2ITGA4ESR1ESR2
SCHEMBL6596926 0.88 ITGA4 (0.69) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6172026 0.87 F2 (0.61) F2ITGA4ESR1ESR2LTA4H
SCHEMBL7450850 0.87 F2 (0.58) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6596335 0.87 ITGA4 (0.68) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6606507 0.86 F2 (0.57) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6606509 0.86 F2 (0.57) F2ITGA4ESR1ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed