SCHEMBL9527773

SCHEMBL9527773

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.35
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL9527072 0.91 B3GAT3 (0.34) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9527931 0.90 B3GAT3 (0.37) B3GAT3GPR84TRPV1CCR2
SCHEMBL9526286 0.90 B3GAT3 (0.33) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9527895 0.86 HTR7 (0.34) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9527665 0.85 B3GAT3 (0.35) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9528162 0.83 CCR2 (0.35) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9530877 0.83 NPC1 (0.32) KDM2B
SCHEMBL9527493 0.81 B3GAT3 (0.33) B3GAT3HTR7HTR6HTR4GPR84
SCHEMBL9527594 0.81 CCR2 (0.35) B3GAT3KDM2BCCR2
SCHEMBL9527486 0.79 B3GAT3 (0.35) B3GAT3GPR84CCR2

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