SCHEMBL12890377

SCHEMBL12890377

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.51
▸ CCKBR P32239 10/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ DPP3 Q9NY33 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ GHSR Q92847 1/20 0.49

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
SCHEMBL13226652 0.93 CAPN1 (0.54) TACR1CCKBRCAPN1CTSBDPP3
SCHEMBL16565983 0.85 DPP4 (0.53) CCKBRDPP3BCHE
SCHEMBL24301894 0.84 GHSR (0.46) CCKBRCAPN1CTSBDPP3BCHE
SCHEMBL24302218 0.84 BCHE (0.46) TACR1CCKBRCAPN1CTSBDPP3
SCHEMBL12890386 0.84 GHSR (0.51) GHSR
SCHEMBL12890641 0.84 GHSR (0.51) GHSR
SCHEMBL20504636 0.83 CAPN1 (0.53) TACR1CAPN1CTSBDPP3GHSR
SCHEMBL20550214 0.83 CAPN1 (0.53) TACR1CAPN1CTSBDPP3GHSR
SCHEMBL14552651 0.82 IL23R (0.59) TACR1CXCL8
SCHEMBL30310982 0.82 CCKBR (0.61) CCKBRDPP3BCHEGHSR

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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