SCHEMBL9527072

SCHEMBL9527072

CCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(C(O)C3CCN(CCC)C3=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR1A P08908 1/20 0.32
CCR2 P41597 1/20 0.32
ADRA1B P35368 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
SCHEMBL9527895 0.95 HTR7 (0.34) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9528162 0.93 CCR2 (0.35) B3GAT3HTR7HTR6GPR84HTR1A
SCHEMBL9527773 0.91 B3GAT3 (0.35) B3GAT3KDM2BHTR7HTR6HTR4
SCHEMBL9527493 0.90 B3GAT3 (0.33) B3GAT3KDM2BHTR7HTR6HTR4
SCHEMBL9527594 0.90 CCR2 (0.35) B3GAT3KDM2BHTR1ACCR2ADRA1B
SCHEMBL9527280 0.85 B3GAT3 (0.34) B3GAT3KDM2BHTR7HTR6HTR4
SCHEMBL9526625 0.85 B3GAT3 (0.33) B3GAT3HTR7HTR6GPR84CCR2
SCHEMBL9877878 0.84 SLC6A4 (0.35) KDM2BGPR84HTR1A
SCHEMBL9526603 0.83 CCR2 (0.34) B3GAT3HTR7HTR6GPR84HTR1A
SCHEMBL9528111 0.81 KDM2B (0.34) KDM2BHTR7HTR6HTR4GPR84

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