SCHEMBL30714767

SCHEMBL30714767

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.53
OPRM1 P35372 6/20 0.53
OPRK1 P41145 1/20 0.53
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
SLC7A5 Q01650 1/20 0.50
YARS1 P54577 2/20 0.49
ANPEP P15144 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48

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
SCHEMBL9822681 0.95 ACE (0.55) OPRD1OPRM1OPRK1MMEACE
SCHEMBL11799017 0.95 ACE (0.55) OPRD1OPRM1OPRK1MMEACE
SCHEMBL9822685 0.95 ACE (0.55) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30714772 0.94 OPRD1 (0.49) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30974364 0.91 CTSD (0.54) OPRD1OPRM1OPRK1MMEACE
SCHEMBL29720334 0.90 CTSD (0.53) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30051265 0.90 CTSD (0.53) OPRD1OPRM1OPRK1MMEACE
SCHEMBL29822653 0.89 ACE (0.59) OPRD1OPRM1OPRK1MMEACE
SCHEMBL30714773 0.89 BACE1 (0.53) OPRD1OPRM1OPRK1MMEACE
SCHEMBL31265324 0.89 OPRD1 (0.56) OPRD1OPRM1OPRK1SLC7A5YARS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826423-B2 Nucleic acids for treatment of allergies IMMUNOMIC THERAPEUTICS, INC. (US) 2023-11-28 US disclosed