SCHEMBL7012910

SCHEMBL7012910

COc1ccn2cc(C3CC3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
DRD2 P14416 3/20 0.38
ADRA1A P35348 3/20 0.34
HTR1A P08908 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1B P35368 2/20 0.34
SUV39H2 Q9H5I1 1/20 0.33
CASR P41180 1/20 0.33
FDFT1 P37268 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KLKB1 P03952 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MPI P34949 1/20 0.31

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
SCHEMBL1646066 0.72 SMN1; SMN2 (0.43) KDM4EALDH1A1
SCHEMBL7011762 0.70 LPO (0.34) KDM4ELMNA
SCHEMBL8204755 0.70 ALDH1A3 (0.44) KDM4EALDH1A1LMNA
SCHEMBL7172987 0.69 ALDH1A3 (0.42) KDM4EALDH1A1
SCHEMBL4796310 0.68 ALOX15 (0.44) KDM4EALDH1A1
SCHEMBL21834040 0.67 ALDH1A1 (0.41) KDM4EALDH1A1TSHR
SCHEMBL7009518 0.67 SUV39H2 (0.37) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL30997824 0.66 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL1515134 0.66 HTR2C (0.77) HTR2CDRD2ADRA1AHTR1AADRA1D
SCHEMBL12297790 0.66 HTR2C (0.50) HTR2CDRD2ADRA1AHTR1AADRA1D

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