SCHEMBL29630559

SCHEMBL29630559

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.41
MME P08473 2/20 0.40
IL1RN P18510 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPY4R P50391 1/20 0.39
ECE1 P42892 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
SCHEMBL31113634 0.94 CTRB1 (0.36) MME
SCHEMBL29937027 0.92 NPY1R (0.43) ERAP2MMEIL1RNERAP1NPY1R
SCHEMBL29936688 0.92 NPY1R (0.43) ERAP2MMEIL1RNERAP1NPY1R
SCHEMBL749822 0.92 CTRB1 (0.37) MME
SCHEMBL29511173 0.92 CTRB1 (0.37) MME
SCHEMBL749821 0.92 CTRB1 (0.37) MME
SCHEMBL3916119 0.92 CTRB1 (0.37) MME
SCHEMBL3810013 0.92 CTRB1 (0.37) MME
SCHEMBL17293240 0.92 CTRB1 (0.37) MME
SCHEMBL3916112 0.92 CTRB1 (0.37) MME

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