SCHEMBL9527486

SCHEMBL9527486

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(C(OC(C)=O)C4CCN(C)C4=O)cc23)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.35
CCR2 P41597 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2D6 P10635 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
GUSB P08236 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
SCHEMBL9526286 0.90 B3GAT3 (0.33) B3GAT3CCR2MTNR1AMTNR1BGPR84
SCHEMBL9526603 0.89 CCR2 (0.34) B3GAT3CCR2GPR84
SCHEMBL9527931 0.89 B3GAT3 (0.37) B3GAT3CCR2CYP2D6GPR84GUSB
SCHEMBL9526819 0.85 CCR2 (0.33) B3GAT3CCR2
SCHEMBL9530877 0.84 NPC1 (0.32) MTNR1AMTNR1B
SCHEMBL9527493 0.82 B3GAT3 (0.33) B3GAT3CCR2GPR84
SCHEMBL9526625 0.81 B3GAT3 (0.33) B3GAT3CCR2GPR84
SCHEMBL9526859 0.80 B3GAT3 (0.36) B3GAT3MTNR1AMTNR1BGPR84
SCHEMBL9527773 0.79 B3GAT3 (0.35) B3GAT3CCR2GPR84
SCHEMBL9528162 0.78 CCR2 (0.35) B3GAT3CCR2GPR84

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-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed