SCHEMBL5318149

SCHEMBL5318149

CC(C)COC(=O)N1CCC(CNC(=O)c2cc(Br)c(N)c3c2OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.41
ACHE P22303 1/20 0.41
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HTR2C P28335 3/20 0.37
ADRA2C P18825 2/20 0.37
HTR1D P28221 2/20 0.37
ADRA1A P35348 2/20 0.37
HTR2B P41595 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37

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
SCHEMBL5315558 0.89 HTR4 (0.41) HTR4ACHETPSAB1TPSD1TPSG1
SCHEMBL5318148 0.85 KDM4E (0.53) HTR4ACHEKDM4EPKMLMNA
SCHEMBL5318285 0.80 HTR4 (0.49) HTR4ACHEADRA2CADRA1AHTR3A
SCHEMBL5316910 0.76 HTR4 (0.51) HTR4ACHEHTR2CADRA2CHTR1D
SCHEMBL5315555 0.75 KDM4E (0.49) HTR4ACHEKDM4EPKMLMNA
SCHEMBL5317371 0.74 KCNH2 (0.43) HTR4TPSAB1TPSD1TPSG1F2
SCHEMBL5315379 0.73 KCNH2 (0.41) HTR4TPSAB1TPSD1TPSG1F2
Hydrochloric Acid SCHEMBL27351702 0.72 KCNH2 (0.57) HTR4HTR2CADRA2CHTR1DADRA1A
SCHEMBL14382457 0.71 HTR4 (0.44) HTR4ACHEHTR3AHTR3EHTR3B
SCHEMBL7436618 0.70 HTR4 (0.35) HTR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO disclosed