SCHEMBL11796337

SCHEMBL11796337

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CTSH P09668 1/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ TRHR P34981 1/20 0.39
▸ ACE P12821 2/20 0.38
▸ REN P00797 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ C5AR1 P21730 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
SCHEMBL11794961 0.90 CTSL (0.38) CTSLCTSSCTSKCTSHTRHR
SCHEMBL11308630 0.89 ACE (0.45) CTSLCTSSCTSKCTSHTRHR
SCHEMBL4956842 0.88 TRHR (0.46) TRHR
SCHEMBL11203817 0.88 TRHR (0.46) TRHR
SCHEMBL11796296 0.86 TRHR (0.39) CTSLCTSSCTSKCTSHTRHR
SCHEMBL14028676 0.86 DPP7 (0.39) CTSLCTSSCTSKCTSHTRHR
SCHEMBL11798918 0.85 CTSL (0.39) CTSLCTSSCTSKCTSHTRHR
SCHEMBL30974084 0.84 F2 (0.43) CTSLCTSSCTSKCTSHF2
SCHEMBL11792360 0.84 CTSL (0.38) CTSLCTSSCTSKCTSHTRHR
SCHEMBL11308638 0.83 TRHR (0.42) TRHRACE

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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