SCHEMBL29630596

SCHEMBL29630596

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ MC4R P32245 1/20 0.41
▸ CAPN1 P07384 6/20 0.40
▸ CTSB P07858 3/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ REN P00797 3/20 0.39
▸ TRHR P34981 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
SCHEMBL29590547 0.95 OPRK1 (0.46) MEN1KMT2AACEOPRK1MC4R
SCHEMBL29630560 0.95 OPRK1 (0.46) MEN1KMT2AACEOPRK1MC4R
SCHEMBL29630526 0.93 TRHR (0.41) ACETRHR
SCHEMBL29590456 0.93 TRHR (0.41) ACETRHR
SCHEMBL29591887 0.92 REN (0.47) CAPN1CTSBREN
SCHEMBL30498899 0.91 SLC6A2 (0.42) MEN1KMT2AACEOPRK1CAPN1
SCHEMBL29925778 0.91 ACE (0.43) MEN1KMT2AACEOPRK1MC4R
SCHEMBL30661447 0.90 MC4R (0.45) MEN1KMT2AACEOPRK1MC4R
SCHEMBL31384593 0.89 OPRK1 (0.56) ACEOPRK1REN
SCHEMBL29845324 0.88 REN (0.46) REN

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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