SCHEMBL7348647

SCHEMBL7348647

COc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(CCN)cc2)ccc1CN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.53
CD274 Q9NZQ7 2/20 0.52
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 2/20 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
SCHEMBL7355874 0.93 CD274 (0.54) F2CD274KDM4EALDH1A1MAPT
SCHEMBL7452057 0.92 HRH3 (0.54) F2CD274KDM4EALDH1A1MAPT
SCHEMBL7447052 0.90 CD274 (0.55) F2CD274KDM4EALDH1A1MAPT
SCHEMBL7442536 0.86 CD274 (0.49) F2CD274KDM4EALDH1A1MEN1
SCHEMBL7353107 0.86 HRH3 (0.48) F2CD274MEN1KMT2AHRH3
SCHEMBL6172550 0.84 F2 (0.76) F2CD274KDM4EALDH1A1MAPT
SCHEMBL7349015 0.83 CD274 (0.47) F2CD274KDM4EALDH1A1MEN1
SCHEMBL6965070 0.80 LTA4H (0.53) F2KDM4EALDH1A1HRH3
SCHEMBL7438768 0.79 F2 (0.71) F2CD274
SCHEMBL7352515 0.79 S1PR1 (0.53) F2CD274HRH3

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-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed