SCHEMBL7774161

SCHEMBL7774161

COc1cc(C(=O)c2c(-c3ccc(OCCN4CCC[C@H]4CO)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.65
ESR1 P03372 18/20 0.53
ESR2 Q92731 18/20 0.53

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
SCHEMBL7774159 1.00 F2 (0.65) F2ESR1ESR2
SCHEMBL7772140 0.95 F2 (0.59) F2ESR1ESR2
SCHEMBL7772141 0.95 F2 (0.59) F2ESR1ESR2
SCHEMBL7773797 0.91 F2 (0.76) F2ESR1ESR2
SCHEMBL7773793 0.91 F2 (0.76) F2ESR1ESR2
SCHEMBL6592408 0.90 ESR1 (0.65) F2ESR1ESR2
SCHEMBL6598702 0.89 ESR1 (0.58) F2ESR1ESR2
SCHEMBL6596262 0.88 F2 (0.51) F2ESR1ESR2
SCHEMBL6596261 0.88 F2 (0.51) F2ESR1ESR2
SCHEMBL7772367 0.88 F2 (0.84) 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