SCHEMBL7446550

SCHEMBL7446550

COc1cc(Cc2ccc(O)cc2-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.64
ESR1 P03372 4/20 0.47
ESR2 Q92731 3/20 0.47
HRH3 Q9Y5N1 2/20 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
SCHEMBL7446154 0.95 F2 (0.70) F2ESR1ESR2
SCHEMBL7452312 0.90 F2 (0.62) F2ESR1ESR2HRH3
SCHEMBL7446038 0.90 F2 (0.62) F2
SCHEMBL7346685 0.89 F2 (0.62) F2ESR1ESR2
SCHEMBL7441706 0.88 F2 (0.62) F2ESR1ESR2HRH3
SCHEMBL7447509 0.88 F2 (0.62) F2ESR1ESR2HRH3
SCHEMBL7438768 0.87 F2 (0.71) F2ESR1ESR2
SCHEMBL7444675 0.86 F2 (0.61) F2ESR1ESR2
SCHEMBL7448434 0.85 F2 (0.58) F2ESR1ESR2
SCHEMBL6966769 0.84 F2 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed