SCHEMBL11308630

SCHEMBL11308630

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.45
▸ REN P00797 1/20 0.45
▸ TRHR P34981 1/20 0.41
▸ DPP4 P27487 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ LTA4H P09960 2/20 0.38
▸ ACE2 Q9BYF1 2/20 0.38
▸ MC4R P32245 1/20 0.38

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
SCHEMBL11203817 0.94 TRHR (0.46) TRHR
SCHEMBL4956842 0.94 TRHR (0.46) TRHR
SCHEMBL11308638 0.94 TRHR (0.42) ACETRHRTSHRMC4R
SCHEMBL11796296 0.91 TRHR (0.39) TRHRDPP4FAPDPP8DPP9
SCHEMBL11798918 0.90 CTSL (0.39) TRHRCTSLCTSHCTSSCTSK
SCHEMBL29630670 0.90 TRHR (0.42) ACETRHRTSHRACE2
SCHEMBL14028676 0.89 DPP7 (0.39) ACERENTRHRDPP4FAP
SCHEMBL11792360 0.89 CTSL (0.38) TRHRCTSLCTSHCTSSCTSK
SCHEMBL11794961 0.89 CTSL (0.38) TRHRCTSLCTSHCTSSCTSK
SCHEMBL11796337 0.89 CTSL (0.42) ACERENTRHRCTSLCTSH

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
JP-56059714-A — — None — — JP disclosed
JP-S5659714-A IMPROVER AND REMEDY FOR DYSBULIA OR DEPRESSION TANABE SEIYAKU CO LTD 1981-05-23 — — JP disclosed
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