SCHEMBL7013787

SCHEMBL7013787

CCc1cc2cc(OC)ccn2c1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 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
SCHEMBL11185205 0.73 MAPT (0.56) CYP1A2ALDH1A1LMNACYP2D6MAPK1
SCHEMBL10293784 0.71 LMNA (0.68) CYP1A2ALDH1A1LMNAPGRCYP2D6
SCHEMBL7005845 0.70 ABCB1 (0.47) ALDH1A1KMT2AMAPT
SCHEMBL10994140 0.69 L3MBTL1 (0.46) CYP1A2LMNACYP2D6MAPK1CYP2C19
SCHEMBL5722237 0.69 POLB (0.49) CYP1A2ALDH1A1LMNACYP2D6MAPK1
SCHEMBL20181565 0.68 SLC22A12 (0.43) CYP1A2ALDH1A1LMNAPGRCYP2D6
SCHEMBL31365942 0.68 NPC1 (0.53) CYP1A2ALDH1A1LMNAPGRCYP2D6
SCHEMBL20181564 0.68 LMNA (0.43) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL13931950 0.68 TUBB1 (0.50)
SCHEMBL11574044 0.67 HPGD (0.47) CYP1A2ALDH1A1LMNAPGRCYP2D6

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