SCHEMBL6171544

SCHEMBL6171544

COc1cc(C(=O)c2c(-c3ccc(OCCN)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.53
ESR1 P03372 18/20 0.48
ESR2 Q92731 18/20 0.48

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
SCHEMBL6172249 0.94 ESR1 (0.50) F2ESR1ESR2
SCHEMBL6596715 0.92 ESR1 (0.60) F2ESR1ESR2
SCHEMBL6172260 0.91 ESR1 (0.45) F2ESR1ESR2
SCHEMBL7774110 0.89 ESR1 (0.48) F2ESR1ESR2
SCHEMBL6172265 0.89 ESR1 (0.45) F2ESR1ESR2
SCHEMBL6599474 0.89 ESR1 (0.55) F2ESR1ESR2
SCHEMBL6598702 0.88 ESR1 (0.58) F2ESR1ESR2
SCHEMBL6592408 0.87 ESR1 (0.65) F2ESR1ESR2
SCHEMBL7772140 0.86 F2 (0.59) F2ESR1ESR2
SCHEMBL7772141 0.86 F2 (0.59) F2ESR1ESR2

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
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed