SCHEMBL7355874

SCHEMBL7355874

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.54
F2 P00734 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTA4H P09960 1/20 0.42
REV1 Q9UBZ9 1/20 0.42
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7348647 0.93 F2 (0.53) CD274F2MEN1KMT2AKDM4E
SCHEMBL7447052 0.92 CD274 (0.55) CD274F2MEN1KMT2AKDM4E
SCHEMBL7353107 0.91 HRH3 (0.48) CD274F2MEN1KMT2AHRH3
SCHEMBL7452057 0.90 HRH3 (0.54) CD274F2MEN1KMT2AKDM4E
SCHEMBL7442536 0.88 CD274 (0.49) CD274F2MEN1KMT2AKDM4E
SCHEMBL7349015 0.84 CD274 (0.47) CD274F2MEN1KMT2AKDM4E
SCHEMBL6173777 0.83 F2 (0.67) CD274F2MEN1KMT2A
SCHEMBL6965070 0.81 LTA4H (0.53) F2KDM4EALDH1A1HRH3NPC1
SCHEMBL7975987 0.81 CD274 (0.51) CD274F2HRH3
SCHEMBL7352515 0.80 S1PR1 (0.53) CD274F2HRH3

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 6 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-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 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
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed