SCHEMBL7446124

SCHEMBL7446124

CCC(COc1ccc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)cc1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.56
ITGA4 P13612 1/20 0.55
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
UBE2N P61088 1/20 0.47
LTA4H P09960 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
SCHEMBL7961013 0.90 F2 (0.58) F2ITGA4ESR1ESR2UBE2N
SCHEMBL7961018 0.90 F2 (0.58) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6596926 0.88 ITGA4 (0.69) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6596335 0.87 ITGA4 (0.68) F2ITGA4ESR1ESR2LTA4H
SCHEMBL6175191 0.87 F2 (0.59) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6175195 0.87 F2 (0.59) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6172878 0.85 ESR1 (0.66) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6595626 0.85 F2 (0.59) F2ITGA4ESR1ESR2UBE2N
SCHEMBL7446115 0.84 F2 (0.56) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6595837 0.84 F2 (0.76) F2ITGA4ESR1ESR2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed