SCHEMBL11872148

SCHEMBL11872148

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccc(I)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ GAA P10253 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ ECE1 P42892 4/20 0.61
▸ MME P08473 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ACE P12821 3/20 0.60
▸ TACR1 P25103 3/20 0.58
▸ ALOX15 P16050 1/20 0.57
▸ KMT2A Q03164 1/20 0.56
▸ CASP1 P29466 1/20 0.56

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
SCHEMBL220800 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL1285921 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL29401760 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL29386277 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL3808330 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL29935468 0.92 NMBR (0.76) NMBRMAPTGAAHTTECE1
SCHEMBL5403959 0.92 MME (0.69) NMBRMAPTGAAHTTECE1
SCHEMBL11870726 0.90 TACR1 (0.72) NMBRMAPTGAAHTTECE1
SCHEMBL11876669 0.90 TACR1 (0.72) NMBRMAPTGAAHTTECE1
SCHEMBL11874058 0.90 MAPT (0.68) NMBRMAPTGAAHTTECE1

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
US-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 — — US disclosed
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