SCHEMBL7443697

SCHEMBL7443697

COc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(OCCN3CCCC3)cc2)cc(OC)c1CN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
CD274 Q9NZQ7 3/20 0.50
HTT P42858 1/20 0.50
F2 P00734 1/20 0.49
MCHR1 Q99705 4/20 0.48
KCNH2 Q12809 4/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7444675 0.87 F2 (0.61) F2
SCHEMBL6965070 0.87 LTA4H (0.53) LTA4HHTTF2MCHR1KCNH2
SCHEMBL7452057 0.83 HRH3 (0.54) LTA4HCD274F2HRH3KDM4E
SCHEMBL6968891 0.83 MCHR1 (0.48) LTA4HCD274HTTF2MCHR1
SCHEMBL7774139 0.82 F2 (0.68) LTA4HF2
SCHEMBL7447052 0.81 CD274 (0.55) CD274F2HRH3KDM4E
SCHEMBL7355874 0.80 CD274 (0.54) LTA4HCD274F2HRH3KDM4E
SCHEMBL7446083 0.80 F2 (0.60) LTA4HCD274F2KCNH2HRH3
SCHEMBL7349015 0.80 CD274 (0.47) CD274HTTF2HRH3KDM4E
SCHEMBL7353107 0.79 HRH3 (0.48) LTA4HCD274F2KCNH2HRH3

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