SCHEMBL6173777

SCHEMBL6173777

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.67
CD274 Q9NZQ7 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6172550 0.94 F2 (0.76) F2CD274
SCHEMBL6172092 0.93 F2 (0.73) F2CD274MEN1KMT2A
SCHEMBL6594628 0.91 F2 (0.75) F2
SCHEMBL6172241 0.90 F2 (0.66) F2MEN1KMT2A
SCHEMBL7989741 0.89 F2 (0.70) F2CD274
SCHEMBL6597991 0.87 F2 (0.69) F2
SCHEMBL6172710 0.87 F2 (0.62) F2MEN1KMT2A
SCHEMBL6598562 0.87 F2 (0.74) F2
SCHEMBL7972046 0.86 F2 (0.66) F2
SCHEMBL6173229 0.86 F2 (0.87) 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 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