SCHEMBL29630560

SCHEMBL29630560

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ REN P00797 4/20 0.41
▸ F2R P25116 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ TRHR P34981 1/20 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
SCHEMBL29590547 1.00 OPRK1 (0.46) OPRK1MEN1KMT2AACEREN
SCHEMBL29630596 0.95 MEN1 (0.43) OPRK1MEN1KMT2AACEREN
SCHEMBL31384593 0.94 OPRK1 (0.56) OPRK1ACERENSLC6A2CTSD
SCHEMBL30974302 0.93 SLC6A2 (0.50) OPRK1RENSLC6A2MC4R
SCHEMBL29630670 0.93 TRHR (0.42) OPRK1ACESLC6A2TRHR
SCHEMBL30498899 0.93 SLC6A2 (0.42) OPRK1MEN1KMT2AACEREN
SCHEMBL29925778 0.92 ACE (0.43) OPRK1MEN1KMT2AACEREN
SCHEMBL30661447 0.91 MC4R (0.45) OPRK1MEN1KMT2AACEREN
SCHEMBL29555036 0.90 ACE (0.41) OPRK1MEN1KMT2AACEREN
SCHEMBL29845324 0.90 REN (0.46) RENSLC6A2

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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