SCHEMBL7447289

SCHEMBL7447289

COc1cc(Cc2c(OCc3ccccc3)cccc2-c2ccc(O)cc2)ccc1CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CD274 Q9NZQ7 4/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
APP P05067 1/20 0.43

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
SCHEMBL7447052 0.84 CD274 (0.55) F2MEN1KMT2ACD274
SCHEMBL6172092 0.79 F2 (0.73) F2MEN1KMT2ACD274
SCHEMBL7355874 0.76 CD274 (0.54) F2MEN1KMT2ACD274NPC1
SCHEMBL6171704 0.76 F2 (0.75) F2
SCHEMBL7452057 0.76 HRH3 (0.54) F2MEN1KMT2ACD274
SCHEMBL7348647 0.75 F2 (0.53) F2MEN1KMT2ACD274
SCHEMBL7442536 0.74 CD274 (0.49) F2MEN1KMT2ACD274NPC1
SCHEMBL7346685 0.74 F2 (0.62) F2CD274
SCHEMBL7452046 0.73 F2 (0.68) F2
SCHEMBL7451662 0.73 F2 (0.43) F2CD274

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