SCHEMBL30958909

SCHEMBL30958909

CC(C)(C)OC(=O)CC[C@H](NC(=O)C(N)C1CCCCO1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.39
▸ KISS1R Q969F8 3/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ REN P00797 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35

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
SCHEMBL30918331 0.86 KISS1R (0.38) BACE1KISS1RCTSB
SCHEMBL30918343 0.84 BACE1 (0.46) BACE1KISS1RCYP3A4RENCTSD
SCHEMBL30918318 0.80 CTSL (0.53) RENCTSLCTSB
SCHEMBL30918311 0.80 PTPN1 (0.42) RENCTSLCTSB
SCHEMBL29666911 0.78 CYP3A4 (0.36) CYP3A4RENCTSLCTSB
SCHEMBL29401136 0.77 CYP3A4 (0.44) CYP3A4CTSLCTSB
SCHEMBL30918367 0.77 BACE1 (0.41) BACE1KISS1RCTSD
SCHEMBL30958914 0.76 KISS1R (0.41) BACE1KISS1RCTSD
SCHEMBL30918341 0.75 CTSB (0.38) BACE1KISS1RCTSB
SCHEMBL30918360 0.74 KISS1R (0.39) BACE1KISS1RCYP3A4RENCTSD

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
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 — — EP disclosed
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