SCHEMBL5765082

SCHEMBL5765082

CCc1cc2c(OCC(=O)OC)ncnc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.39
PLA2G2A P14555 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL5765093 0.91 PTGDR2 (0.42) MTNR1AMTNR1BKMT2AMAPTALDH1A1
SCHEMBL5762337 0.89 MAPT (0.41) PKMMAPTALDH1A1PLA2G2APOLB
SCHEMBL5764801 0.86 AURKA (0.42) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5762171 0.86 PLA2G1B (0.42) PKMKMT2AMAPTALDH1A1MEN1
SCHEMBL5766775 0.85 PLA2G2A (0.40) PKMMTNR1AMTNR1BKMT2AMAPT
SCHEMBL5764508 0.83 PPARG (0.40) PKMMTNR1AMTNR1BKMT2AMAPT
SCHEMBL25136 0.76 MTNR1B (0.60) MTNR1AMTNR1BMAPTPLA2G2ANPC1
SCHEMBL5763739 0.75 MEN1 (0.52) KMT2AALDH1A1MEN1POLBNPC1
SCHEMBL5765021 0.75 GAA (0.38) KMT2AMAPTALDH1A1MEN1PLA2G2A
SCHEMBL5762592 0.74 PLA2G2A (0.57) PLA2G2A

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
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
EP-1091738-A4 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed
EP-1091738-A1 BICYCLIC sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-18 EP disclosed
WO-2000000201-A1 BICYCLIC sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed