SCHEMBL29630670

SCHEMBL29630670

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.42
▸ ACE P12821 6/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ ACE2 Q9BYF1 4/20 0.39

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
SCHEMBL29630526 0.94 TRHR (0.41) TRHRACETSHRACE2
SCHEMBL29630369 0.94 TRHR (0.41) TRHRACETSHRACE2
SCHEMBL29590456 0.94 TRHR (0.41) TRHRACETSHRACE2
SCHEMBL29701316 0.94 ACE (0.49) ACESLC6A2OPRK1ACE2
SCHEMBL29590547 0.93 OPRK1 (0.46) TRHRACESLC6A2OPRK1
SCHEMBL29630560 0.93 OPRK1 (0.46) TRHRACESLC6A2OPRK1
SCHEMBL30338091 0.92 ACE (0.50) ACETSHRACE2
SCHEMBL29958712 0.92 TRHR (0.41) TRHRACEACE2
SCHEMBL11308630 0.90 ACE (0.45) TRHRACETSHRACE2
SCHEMBL29925778 0.90 ACE (0.43) TRHRACEOPRK1ACE2

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