SCHEMBL29630526

SCHEMBL29630526

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ ACE P12821 5/20 0.39
▸ ACE2 Q9BYF1 4/20 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
SCHEMBL29590456 1.00 TRHR (0.41) TRHRTSHRACEACE2
SCHEMBL29630670 0.94 TRHR (0.42) TRHRTSHRACEACE2
SCHEMBL29630596 0.93 MEN1 (0.43) TRHRACE
SCHEMBL30338091 0.90 ACE (0.50) TSHRACEACE2
SCHEMBL29630375 0.90 TRHR (0.41) TRHRACEACE2
SCHEMBL29958712 0.90 TRHR (0.41) TRHRACEACE2
SCHEMBL7759104 0.89 DPP4 (0.42) ACEACE2
SCHEMBL7759091 0.89 DPP4 (0.42) ACEACE2
SCHEMBL29630369 0.89 TRHR (0.41) TRHRTSHRACEACE2
SCHEMBL29701316 0.89 ACE (0.49) ACEACE2

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
Send feedback