SCHEMBL5696902

SCHEMBL5696902

CCc1cc2c(OCC(=O)OC(C)(C)C)cccc2n1Cc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MTNR1B P49286 5/20 0.38
MTNR1A P48039 4/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPT P10636 3/20 0.35
PLA2G2A P14555 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5696981 0.87 PLA2G2A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5697008 0.86 MTNR1A (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5697202 0.84 PLA2G2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4789355 0.77 PLA2G1B (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5697060 0.76 PLA2G2A (0.46) PLA2G2APLA2G1B
SCHEMBL2157014 0.76 PLA2G2A (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25136 0.74 MTNR1B (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14277707 0.72 GRM4 (0.51) DDB1CRBNMAPTALDH1A1KDM4E
SCHEMBL5697619 0.69 DDB1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4757197 0.69 MTNR1B (0.52) MTNR1BMTNR1AMAPTPLA2G2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100492-B1 INDOLE sPLA2 INHIBITORS LILLY CO ELI (US) 2006-05-24 EP disclosed
EP-1100492-A4 INDOLE sPLA 2? INHIBITORS LILLY CO ELI (US) 2001-10-24 EP disclosed
EP-1100492-A1 INDOLE sPLA 2? INHIBITORS Eli Lilly & Company (US) 2001-05-23 EP disclosed
WO-2000007590-A1 INDOLE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-02-17 WO disclosed