SCHEMBL12890641

SCHEMBL12890641

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)C1CCC[C@H]1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.51
▸ MAGI3 Q5TCQ9 1/20 0.51
▸ ITGB2 P05107 1/20 0.49
▸ ICAM1 P05362 1/20 0.49
▸ ITGAL P20701 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL12890386 1.00 GHSR (0.51) GHSRMAGI3ITGB2ICAM1ITGAL
SCHEMBL12890377 0.84 TACR1 (0.51) GHSR
SCHEMBL30311059 0.82 ACE (0.64) MAGI3
SCHEMBL13226652 0.80 CAPN1 (0.54) —
SCHEMBL24122594 0.78 ECE1 (0.69) GHSRMAPK1SMN1; SMN2KMT2A
SCHEMBL30493767 0.78 ECE1 (0.69) GHSRMAPK1SMN1; SMN2KMT2A
SCHEMBL31729349 0.78 GHSR (0.61) GHSRMAGI3
SCHEMBL14864007 0.77 ECE1 (0.57) GHSRMAGI3
SCHEMBL21360941 0.76 MAGI3 (0.70) MAGI3KMT2A
SCHEMBL20504633 0.76 MAGI3 (0.70) MAGI3KMT2A

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-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 — — US disclosed
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