SCHEMBL6970677

SCHEMBL6970677

CCOC(=O)CCCOc1cc2c3c(n(Cc4ccccc4)c2cc1CCC#N)CCCC3NC=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.39
TSHR P16473 1/20 0.35
HTR6 P50406 3/20 0.34
LTA4H P09960 1/20 0.33
TBXA2R P21731 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6978340 0.92 PLA2G2A (0.41) PLA2G2ATSHRHTR6LTA4HTBXA2R
SCHEMBL6983124 0.92 PLA2G2A (0.40) PLA2G2AHTR6
SCHEMBL8575157 0.87 HTR6 (0.34) HTR6
SCHEMBL818662 0.83 PLA2G2A (0.42) PLA2G2AHTR6
SCHEMBL8577109 0.79 HTR6 (0.36) PLA2G2ATSHRHTR6
SCHEMBL6978338 0.78 HTR6 (0.36) HTR6
SCHEMBL29862814 0.78 PLA2G2A (0.45) PLA2G2AHTR6
SCHEMBL818540 0.78 PLA2G2A (0.45) PLA2G2AHTR6
SCHEMBL6985524 0.78 PLA2G2A (0.48) PLA2G2ATSHRHTR6
SCHEMBL6985527 0.78 PLA2G2A (0.48) PLA2G2ATSHRHTR6

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-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed