SCHEMBL29589034

SCHEMBL29589034

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 5/20 0.48
▸ DPP3 Q9NY33 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ OPRM1 P35372 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL30385689 0.89 REN (0.47) TRHRDPP3SLC6A2
SCHEMBL11092435 0.89 REN (0.47) SLC6A2
SCHEMBL29823327 0.88 DPP3 (0.60) DPP3SLC6A2OPRM1LNPEP
SCHEMBL29592537 0.87 SLC6A2 (0.47) SLC6A2OPRM1
SCHEMBL29845324 0.87 REN (0.46) SLC6A2
SCHEMBL38652354 0.86 SLC6A2 (0.55) DPP3SLC6A2OPRM1
SCHEMBL30785948 0.86 SLC6A2 (0.58) DPP3SLC6A2OPRM1LNPEP
SCHEMBL30254274 0.86 OPRM1 (0.50) TRHRSLC6A2OPRM1
SCHEMBL29630789 0.86 DPP3 (0.46) TRHRDPP3SLC6A2LNPEP
SCHEMBL29591887 0.86 REN (0.47) SLC6A2LNPEP

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
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN claimed
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 — — CN disclosed
Send feedback