SCHEMBL5583816

SCHEMBL5583816

COc1ccnc(C(=O)NC2CCCCC2O)c1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.45
CNR1 P21554 8/20 0.44
CHRM1 P11229 2/20 0.43
CNR2 P34972 4/20 0.41
TACR2 P21452 1/20 0.40
ANO1 Q5XXA6 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL14284405 0.98 HCRTR1 (0.47) HCRTR1CNR1CHRM1CNR2ANO1
SCHEMBL14284428 0.85 HCRTR1 (0.43) HCRTR1TAS1R3TAS1R1
SCHEMBL5583701 0.85 ALDH1A1 (0.50) TAS1R3TAS1R1
SCHEMBL15480783 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1
SCHEMBL5583720 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1
SCHEMBL5583725 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1
SCHEMBL5583707 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1
SCHEMBL5583860 0.84 ALDH1A1 (0.52) TAS1R3TAS1R1
SCHEMBL5583854 0.82 TAS1R3 (0.48) HCRTR1TAS1R3TAS1R1
SCHEMBL5583588 0.82 TAS1R3 (0.53) TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP claimed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed