SCHEMBL7775924

SCHEMBL7775924

COc1cc(Cc2c(-c3ccc(OCCN4CCC[C@H]4CO)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 1.00
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49

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
SCHEMBL7775919 1.00 F2 (1.00) F2ESR1ESR2
SCHEMBL7772244 0.95 F2 (0.90) F2ESR1ESR2
SCHEMBL7772238 0.95 F2 (0.90) F2ESR1ESR2
SCHEMBL7772363 0.91 F2 (0.84) F2
SCHEMBL7772367 0.91 F2 (0.84) F2
SCHEMBL6594996 0.89 F2 (1.00) F2ESR1ESR2
SCHEMBL7986006 0.88 F2 (0.89) F2ESR1ESR2
SCHEMBL6597495 0.87 F2 (0.80) F2ESR1ESR2
SCHEMBL7774213 0.86 F2 (0.76) F2
SCHEMBL7774216 0.86 F2 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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