SCHEMBL7745706

SCHEMBL7745706

CCc1c(Br)c2c(OCC(=O)OC(C)(C)C)c(NC(C)=O)ccc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PLA2G2A P14555 16/20 0.41
PLA2G10 O15496 3/20 0.38
PLA2G5 P39877 3/20 0.38
PLA2G2E Q9NZK7 3/20 0.38
PLA2G2F Q9BZM2 2/20 0.38
PLA2G2D Q9UNK4 2/20 0.38
PLA2G1B P04054 2/20 0.38
PLA2G6 O60733 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G3 Q9NZ20 1/20 0.38
BRD4 O60885 1/20 0.35

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
SCHEMBL5696951 0.78 PLA2G2A (0.53) MTNR1AMTNR1BPLA2G2APLA2G10PLA2G5
SCHEMBL5696972 0.72 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G2F
SCHEMBL5697041 0.71 PLA2G2A (0.57) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G2F
SCHEMBL7745703 0.71 PLA2G2A (0.52) MTNR1AMTNR1BPLA2G2APLA2G10PLA2G5
SCHEMBL5697259 0.70 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G2F
SCHEMBL5697031 0.65 PLA2G2A (0.66) MTNR1AMTNR1BPLA2G2APLA2G10PLA2G5
SCHEMBL5697060 0.64 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G2F
SCHEMBL5697008 0.63 MTNR1A (0.52) MTNR1AMTNR1BPLA2G2APLA2G10PLA2G5
SCHEMBL5540844 0.61 PLA2G2A (0.78) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G2F
SCHEMBL21883674 0.60 PSEN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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