SCHEMBL30997440

SCHEMBL30997440

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.45
▸ CAPN1 P07384 4/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ TRHR P34981 1/20 0.41
▸ DPP3 Q9NY33 2/20 0.40
▸ GRB2 P62993 1/20 0.40

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
SCHEMBL30997442 1.00 REN (0.45) RENCAPN1OPRM1CTSBANPEP
SCHEMBL29591887 0.91 REN (0.47) RENCAPN1CTSBANPEPLNPEP
SCHEMBL31072130 0.91 REN (0.46) RENOPRM1TRHR
SCHEMBL30385689 0.89 REN (0.47) RENSLC6A2TRHRDPP3
SCHEMBL30399541 0.88 REN (0.48) RENOPRM1SLC6A2DPP3
SCHEMBL34461109 0.88 OPRM1 (0.46) RENOPRM1SLC6A2TRHRDPP3
SCHEMBL29845324 0.86 REN (0.46) RENSLC6A2
SCHEMBL30676223 0.86 REN (0.47) REN
SCHEMBL31108671 0.86 REN (0.55) RENOPRM1ANPEPLNPEPSLC6A2
SCHEMBL11092435 0.85 REN (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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