SCHEMBL29630369

SCHEMBL29630369

N[C@@H](CO)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 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.41
▸ ACE P12821 6/20 0.40
▸ TSHR P16473 1/20 0.39
▸ F2R P25116 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 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
SCHEMBL29630670 0.94 TRHR (0.42) TRHRACETSHRACE2
SCHEMBL29555036 0.90 ACE (0.41) TRHRACEF2RACE2
SCHEMBL29590456 0.89 TRHR (0.41) TRHRACETSHRACE2
SCHEMBL29630526 0.89 TRHR (0.41) TRHRACETSHRACE2
SCHEMBL29701316 0.89 ACE (0.49) ACEOPRM1OPRD1ACE2
SCHEMBL30974083 0.88 OPRM1 (0.42) OPRM1OPRD1
SCHEMBL29925778 0.88 ACE (0.43) TRHRACEACE2
SCHEMBL11308630 0.88 ACE (0.45) TRHRACETSHRACE2
SCHEMBL29630560 0.88 OPRK1 (0.46) TRHRACEF2R
SCHEMBL29590547 0.88 OPRK1 (0.46) TRHRACEF2R

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
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