SCHEMBL290587

SCHEMBL290587

NC(c1ccc(I)cc1)C(C=O)NC(=O)C1(NC(=O)O)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL290369 0.85 GHSR (0.32)
SCHEMBL289267 0.77 CTSC (0.43)
SCHEMBL290581 0.73 TACR2 (0.45) TACR2
SCHEMBL290586 0.71 CTSC (0.34) TACR2
SCHEMBL288761 0.70 CTSC (0.56) TACR2
SCHEMBL289883 0.70 CTSL (0.37) TACR2
SCHEMBL17823082 0.64 F2 (0.35)
SCHEMBL16934688 0.64 HPGD (0.34)
SCHEMBL16498195 0.63 FAAH (0.48)
SCHEMBL16478069 0.62 TACR2 (0.45) TACR2

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-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed