SCHEMBL27272114

SCHEMBL27272114

CC(C)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN=[N+]=[N-])C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 6/20 0.47
▸ FOLH1 Q04609 2/20 0.45
▸ OPRK1 P41145 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ OPRD1 P41143 4/20 0.42
▸ CCKBR P32239 4/20 0.42
▸ CCKAR P32238 3/20 0.42
▸ KEAP1 Q14145 2/20 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
SCHEMBL29313289 1.00 QRFPR (0.47) QRFPRFOLH1OPRK1BCL2L1OPRD1
SCHEMBL29313808 0.92 OPRK1 (0.48) QRFPRFOLH1OPRK1
SCHEMBL29313811 0.90 FOLH1 (0.49) QRFPRFOLH1OPRK1CCKBRKEAP1
SCHEMBL29311715 0.89 CCKBR (0.50) QRFPROPRD1CCKBRCCKAR
SCHEMBL29311714 0.89 CCKBR (0.50) QRFPROPRD1CCKBRCCKAR
SCHEMBL27273355 0.89 QRFPR (0.48) QRFPRBCL2L1
SCHEMBL27268466 0.86 KEAP1 (0.51) QRFPROPRK1OPRD1CCKBRCCKAR
SCHEMBL29311919 0.84 KEAP1 (0.56) OPRD1CCKBRCCKARKEAP1
SCHEMBL29311906 0.82 CTSB (0.60) OPRK1OPRD1
SCHEMBL27268400 0.82 CTSB (0.60) OPRK1OPRD1

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
WO-2024086826-A2 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-04-25 — — WO disclosed
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