SCHEMBL27502009

SCHEMBL27502009

CC1OC(=O)NC1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.42
▸ CAPN1 P07384 2/20 0.41
▸ TRHR P34981 1/20 0.40

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
SCHEMBL27639586 0.83 TRHR (0.49) RENCAPN1TRHR
SCHEMBL27448784 0.83 TRHR (0.49) RENCAPN1TRHR
SCHEMBL27504185 0.81 TRHR (0.59) RENCAPN1TRHR
SCHEMBL21219550 0.80 TRHR (0.43) RENCAPN1TRHR
SCHEMBL21219553 0.79 REN (0.42) RENCAPN1TRHR
SCHEMBL27518093 0.77 TRHR (0.43) RENCAPN1TRHR
SCHEMBL27772271 0.76 REN (0.38) RENCAPN1TRHR
SCHEMBL31339185 0.75 EPHX2 (0.51) RENCAPN1TRHR
SCHEMBL31339177 0.75 EPHX2 (0.51) RENCAPN1TRHR
SCHEMBL29792521 0.75 EPHX2 (0.51) RENCAPN1TRHR

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
CN-1214040-C Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 2005-08-10 — — CN disclosed
CN-1235610-A Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 1999-11-17 — — CN disclosed
Send feedback