SCHEMBL7818700

SCHEMBL7818700

COc1cc(Cc2[c]cc(OCc3ccccc3)cc2OCC2CCC(=O)N2)ccc1CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
MAPT P10636 1/20 0.36
F2 P00734 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL7830154 0.85 IRAK4 (0.35) MEN1KMT2ACD274ALDH1A1TDP1
SCHEMBL7818690 0.79 S1PR1 (0.39) MEN1KMT2AHRH3
SCHEMBL7810143 0.79 MEN1 (0.47) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL7354252 0.79 MEN1 (0.47) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL6173244 0.78 F2 (0.58) MEN1KMT2ACD274F2
SCHEMBL7416510 0.78 F2 (0.58) MEN1KMT2ACD274F2
SCHEMBL7825326 0.74 F2 (0.51) CD274F2
SCHEMBL7818684 0.73 DRD2 (0.41) CD274NPC1RAB9AF2HRH3
SCHEMBL7819916 0.72 S1PR1 (0.40) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL7819929 0.72 S1PR1 (0.38) MEN1KMT2AF2HRH3LTA4H

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-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
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed