SCHEMBL6173218

SCHEMBL6173218

COc1cc(C(=O)c2c(-c3ccc(N([Si](C)(C)C)[Si](C)(C)C)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.49
ESR2 Q92731 17/20 0.49
F2 P00734 2/20 0.46
ABCC1 P33527 1/20 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
SCHEMBL6171170 0.90 ESR1 (0.59) ESR1ESR2F2
SCHEMBL6173290 0.89 ESR1 (0.52) ESR1ESR2F2
SCHEMBL6598702 0.88 ESR1 (0.58) ESR1ESR2F2
SCHEMBL6594992 0.88 ESR1 (0.55) ESR1ESR2F2
SCHEMBL6592408 0.88 ESR1 (0.65) ESR1ESR2F2
SCHEMBL6597513 0.88 ESR1 (0.59) ESR1ESR2F2
SCHEMBL6174247 0.87 F2 (0.57) ESR1ESR2F2
SCHEMBL7417917 0.86 ESR1 (0.51) ESR1ESR2F2
SCHEMBL6599474 0.85 ESR1 (0.55) ESR1ESR2F2
SCHEMBL6596715 0.85 ESR1 (0.60) ESR1ESR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6288105-B1 COMPOUNDS SUCH AS (S)-2-(4-((2-AMINO-3-HYDROXY-1-OXOPROPYL)AMINO)PHENYL)-6-HYDRO XY-3-(3-METHOXY-4-(1-PYRROLIDINYLMETHYL)BENZYL)BENZO(B)THIOPHE NE ELI LILLY AND COMPANY 2001-09-11 US disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US 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