SCHEMBL9528162

SCHEMBL9528162

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.35
B3GAT3 O94766 1/20 0.35
ADRA1B P35368 1/20 0.34
HTR1A P08908 1/20 0.34
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SLC6A4 P31645 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
SCHEMBL9527594 0.95 CCR2 (0.35) CCR2B3GAT3ADRA1BHTR1AMGAM
SCHEMBL9527072 0.93 B3GAT3 (0.34) CCR2B3GAT3ADRA1BHTR1AHTR7
SCHEMBL9527895 0.92 HTR7 (0.34) CCR2B3GAT3MGAMGAASI
SCHEMBL9526603 0.90 CCR2 (0.34) CCR2B3GAT3ADRA1BHTR1AMGAM
SCHEMBL9877878 0.89 SLC6A4 (0.35) HTR1AMGAMGAASIMGAM2
SCHEMBL9527931 0.88 B3GAT3 (0.37) CCR2B3GAT3HTR1AGPR84
SCHEMBL9526819 0.86 CCR2 (0.33) CCR2B3GAT3ADRA1BMGAMGAA
SCHEMBL9527468 0.85 B3GAT3 (0.35) CCR2B3GAT3ADRA1BHTR1A
SCHEMBL9527773 0.83 B3GAT3 (0.35) CCR2B3GAT3HTR7HTR6GPR84
SCHEMBL9527493 0.83 B3GAT3 (0.33) CCR2B3GAT3ADRA1BHTR7HTR6

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