SCHEMBL6594628

SCHEMBL6594628

COc1cc(Cc2c(-c3ccc(CCN4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.75
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL6597991 0.96 F2 (0.69) F2HRH3KDM4EALDH1A1MAPT
SCHEMBL6172550 0.93 F2 (0.76) F2KDM4EALDH1A1MAPT
SCHEMBL6172092 0.92 F2 (0.73) F2
SCHEMBL6173777 0.91 F2 (0.67) F2
SCHEMBL6598562 0.89 F2 (0.74) F2
SCHEMBL6172710 0.89 F2 (0.62) F2
SCHEMBL7989741 0.88 F2 (0.70) F2
SCHEMBL6172241 0.87 F2 (0.66) F2
SCHEMBL6597428 0.86 F2 (1.00) F2
SCHEMBL7773856 0.86 F2 (0.67) F2

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-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed