SCHEMBL7445699

SCHEMBL7445699

Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)nc3)sc3cc(OCc4ccccc4)ccc23)ccc1CCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.60
LTA4H P09960 2/20 0.45
HRH3 Q9Y5N1 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39

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
SCHEMBL6597527 0.94 F2 (0.67) F2LTA4HESR1ESR2
SCHEMBL7413476 0.84 F2 (0.69) F2LTA4HESR1ESR2
SCHEMBL6597917 0.84 F2 (0.71) F2LTA4HESR1ESR2
SCHEMBL6594380 0.82 F2 (0.83) F2ESR1ESR2
SCHEMBL6597734 0.80 F2 (0.59) F2ESR1ESR2
SCHEMBL7409357 0.80 F2 (0.65) F2ESR1ESR2
SCHEMBL7415282 0.80 F2 (0.67) F2ESR1ESR2
SCHEMBL6171549 0.80 F2 (0.73) F2HRH3ESR1ESR2
SCHEMBL7768104 0.78 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL6594628 0.78 F2 (0.75) F2HRH3

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