SCHEMBL2442476

SCHEMBL2442476

O=C(O)CN(CCc1c[nH]c2ccccc12)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.65
TRPV1 Q8NER1 1/20 0.65
HTR1A P08908 4/20 0.64
HTR6 P50406 3/20 0.64
CDK4 P11802 6/20 0.61
CCND1 P24385 6/20 0.61
HTR2A P28223 4/20 0.61
HTR2C P28335 3/20 0.61
HTR2B P41595 3/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
ADRA1A P35348 2/20 0.61
HRH1 P35367 2/20 0.61
ADRA1B P35368 2/20 0.61
MAOA P21397 1/20 0.61
ADRA1D P25100 1/20 0.61
HTR1B P28222 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61

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
SCHEMBL27191681 0.86 CDK4 (0.66) HTR1AHTR6CDK4CCND1HTR2A
SCHEMBL29164960 0.84 HTR1A (0.71) TRPM8TRPV1HTR1AHTR6CDK4
N,N-Dimethyltryptamine SCHEMBL31289392 0.80 HTR1A (0.78) HTR1AHTR6CDK4CCND1HTR2A
N,N-Dimethyltryptamine SCHEMBL30785193 0.80 HTR1A (0.78) HTR1AHTR6CDK4CCND1HTR2A
SCHEMBL13994256 0.80 HTR1A (0.72) TRPM8TRPV1HTR1AHTR6CDK4
Indolylpropionic Acid SCHEMBL29521227 0.80 MAPT (0.68) HTR6CDK4HTR2AHTR2CHTR1B
Indolylpropionic Acid SCHEMBL29374161 0.80 MAPT (0.68) HTR6CDK4HTR2AHTR2CHTR1B
Indolylpropionic Acid SCHEMBL195405 0.80 MAPT (0.68) HTR6CDK4HTR2AHTR2CHTR1B
SCHEMBL14631588 0.79 CDK4 (0.61) TRPM8TRPV1HTR1AHTR6CDK4
SCHEMBL14705330 0.79 HTR1A (0.83) TRPM8TRPV1HTR1AHTR6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed