SCHEMBL12972227

SCHEMBL12972227

CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCOC)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.53
▸ ERAP2 Q6P179 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ SLC15A2 Q16348 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
SCHEMBL12374166 0.88 REN (0.54) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL22722176 0.82 REN (0.58) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL27624890 0.82 SLC15A2 (0.61) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL27624690 0.80 SLC15A2 (0.57) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL18862330 0.80 REN (0.55) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL18862042 0.79 REN (0.56) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL18402423 0.78 REN (0.60) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL27624718 0.78 REN (0.51) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL19051548 0.78 REN (0.57) RENERAP2ERAP1LNPEPSLC15A2
SCHEMBL16317506 0.77 REN (0.51) REN

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
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 — — US disclosed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 — — US disclosed
Send feedback