SCHEMBL9526286

SCHEMBL9526286

CCCN1CCC(C(OC(C)=O)c2ccc3[nH]cc(C(C)c4ccc(C(=O)OC)cc4OC)c3c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
HTR4 Q13639 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CCR2 P41597 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL9530877 0.94 NPC1 (0.32) MTNR1AMTNR1BKDM2B
SCHEMBL9527493 0.92 B3GAT3 (0.33) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9527486 0.90 B3GAT3 (0.35) B3GAT3MTNR1AMTNR1BGPR84CCR2
SCHEMBL9527773 0.90 B3GAT3 (0.35) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9526625 0.86 B3GAT3 (0.33) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9526603 0.84 CCR2 (0.34) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9527665 0.82 B3GAT3 (0.35) B3GAT3MTNR1AMTNR1BHTR7HTR6
SCHEMBL9526819 0.82 CCR2 (0.33) B3GAT3CCR2KDM2B
SCHEMBL9527072 0.81 B3GAT3 (0.34) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9527931 0.80 B3GAT3 (0.37) B3GAT3GPR84TRPV1CCR2

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