SCHEMBL7810143

SCHEMBL7810143

COc1cc(Cc2[c]cc(OCc3ccccc3)cc2N)ccc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CD274 Q9NZQ7 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LTA4H P09960 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
REV1 Q9UBZ9 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7354252 0.82 MEN1 (0.47) MEN1KMT2ACD274LTA4HKDM4E
SCHEMBL7818700 0.79 MEN1 (0.41) MEN1KMT2ACD274NPC1RAB9A
SCHEMBL7818112 0.78 S1PR1 (0.47) MEN1KMT2AF2HRH3
SCHEMBL7355874 0.77 CD274 (0.54) MEN1KMT2ACD274NPC1RAB9A
SCHEMBL6963429 0.75 LTA4H (0.56) MEN1KMT2ALTA4HHRH3
SCHEMBL7447052 0.74 CD274 (0.55) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL7348647 0.74 F2 (0.53) MEN1KMT2ACD274KDM4EALDH1A1
SCHEMBL7818684 0.73 DRD2 (0.41) CD274NPC1RAB9ALTA4HF2
SCHEMBL7452057 0.73 HRH3 (0.54) MEN1KMT2ACD274LTA4HKDM4E
SCHEMBL6966701 0.72 LTA4H (0.47) LTA4HHRH3TDP1

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-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-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049160-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