SCHEMBL6985527

SCHEMBL6985527

CCOC(=O)CCCOc1cc2c3c(n(Cc4ccccc4)c2cc1CC)CCC[C@@H]3C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.48
HTR6 P50406 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL6985524 1.00 PLA2G2A (0.48) PLA2G2AHTR6TSHR
SCHEMBL819415 0.92 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL29862597 0.92 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL818729 0.92 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL29862369 0.92 PLA2G2A (0.51) PLA2G2AHTR6
SCHEMBL29862401 0.86 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL818313 0.86 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL6699396 0.85 PLA2G2A (0.48) PLA2G2AHTR6
SCHEMBL6983468 0.85 HTR6 (0.51) PLA2G2AHTR6
SCHEMBL6694888 0.85 HTR6 (0.51) PLA2G2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed