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
Send feedback