SCHEMBL11796296

SCHEMBL11796296

NC(=O)CC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 4/20 0.39
▸ CTSL P07711 3/20 0.38
▸ CTSS P25774 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSH P09668 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL11798918 0.93 CTSL (0.39) TRHRCTSLCTSSCTSKCTSH
SCHEMBL11792360 0.93 CTSL (0.38) TRHRCTSLCTSSCTSKCTSH
SCHEMBL11203817 0.92 TRHR (0.46) TRHR
SCHEMBL4956842 0.92 TRHR (0.46) TRHR
SCHEMBL11308630 0.91 ACE (0.45) TRHRCTSLCTSSCTSKCTSH
SCHEMBL11308638 0.89 TRHR (0.42) TRHR
SCHEMBL11203821 0.88 TRHR (0.46) TRHR
SCHEMBL14028676 0.86 DPP7 (0.39) TRHRCTSLCTSSCTSKCTSH
SCHEMBL11794961 0.86 CTSL (0.38) TRHRCTSLCTSSCTSKCTSH
SCHEMBL11796337 0.86 CTSL (0.42) TRHRCTSLCTSSCTSKCTSH

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-3931139-A Tripeptides having an antidepressive and prolactin-releasing action HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
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