SCHEMBL6598711

SCHEMBL6598711

Brc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1OCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.64
ITGA4 P13612 1/20 0.58
ESR1 P03372 6/20 0.53
ESR2 Q92731 6/20 0.53
UBE2N P61088 1/20 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
SCHEMBL7774167 0.89 F2 (0.66) F2ITGA4ESR1ESR2
SCHEMBL6592349 0.89 F2 (0.64) F2ITGA4ESR1ESR2UBE2N
SCHEMBL7451592 0.89 F2 (0.59) F2ITGA4ESR1ESR2UBE2N
SCHEMBL6594836 0.89 F2 (0.59) F2ITGA4ESR1ESR2
SCHEMBL6594356 0.89 F2 (0.66) F2ESR1ESR2
SCHEMBL6596926 0.88 ITGA4 (0.69) F2ITGA4ESR1ESR2
SCHEMBL6597611 0.88 F2 (0.67) F2ITGA4ESR1ESR2UBE2N
SCHEMBL7414626 0.88 F2 (0.63) F2ITGA4ESR1ESR2UBE2N
SCHEMBL7414082 0.88 F2 (0.64) F2ITGA4ESR1ESR2
SCHEMBL6596569 0.88 F2 (0.59) 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-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