SCHEMBL7009518

SCHEMBL7009518

COc1cccn2cc(C3CC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 4/20 0.37
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
QDPR P09417 2/20 0.36
ABCB1 P08183 1/20 0.35
HTR2C P28335 4/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL7009318 0.79 PTGDR (0.42) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7012430 0.71 PTGS2 (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL34470798 0.69 ALOX15 (0.44) QDPRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1646066 0.67 SMN1; SMN2 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7012910 0.67 HTR2C (0.40) SUV39H2HTR1AADRA1DADRA1AADRA1B
SCHEMBL16632582 0.66 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21834040 0.63 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1494013 0.63 NR3C1 (0.64) QDPR
SCHEMBL24007174 0.62 QDPR (0.42) QDPRALDH1A1KDM4ETP53MAPK1
SCHEMBL16632488 0.62 AR (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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