SCHEMBL7438768

SCHEMBL7438768

COc1cc(Cc2ccc(O)cc2-c2ccc(OCCN)cc2)ccc1CN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.71
CD274 Q9NZQ7 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL7346685 0.93 F2 (0.62) F2CD274ESR1ESR2
SCHEMBL7446154 0.92 F2 (0.70) F2ESR1ESR2
SCHEMBL7451351 0.89 F2 (0.58) F2ESR1ESR2
SCHEMBL7348546 0.88 F2 (0.57) F2CD274
SCHEMBL7352161 0.87 F2 (0.56) F2CD274
SCHEMBL7446550 0.87 F2 (0.64) F2ESR1ESR2
SCHEMBL7452046 0.85 F2 (0.68) F2
SCHEMBL7353180 0.85 F2 (0.54) F2CD274
SCHEMBL7452488 0.83 F2 (1.00) F2ESR1ESR2
SCHEMBL7449972 0.82 F2 (0.53) 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