SCHEMBL7017573

SCHEMBL7017573

O=C(c1c(C2CC2)cc2c(OCc3ccccc3)cccn12)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
PKM P14618 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL7014335 0.87 MEN1 (0.43) MEN1ALDH1A1KMT2ASGMS2KDM2B
SCHEMBL7009138 0.86 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ASGMS2KDM2B
SCHEMBL7013513 0.85 SGMS2 (0.43) MEN1ALDH1A1KMT2ASGMS2KDM2B
SCHEMBL7011107 0.85 SGMS2 (0.43) MEN1ALDH1A1KMT2ASGMS2KDM2B
SCHEMBL7010603 0.85 MRGPRX4 (0.42) MEN1ALDH1A1KMT2ASGMS2HTR1A
SCHEMBL7006598 0.82 PTGDR2 (0.48) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL7013912 0.81 KMT2A (0.47) MEN1ALDH1A1KMT2AKDM2BNPC1
SCHEMBL8324753 0.80 RXRA (0.42) MEN1ALDH1A1KMT2ASGMS2HTR1A
SCHEMBL7013923 0.78 HTR1A (0.43) MEN1ALDH1A1KMT2AHTR1ASLC6A2
SCHEMBL7010577 0.77 HTR1A (0.46) MEN1KMT2AHTR1ASLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed