SCHEMBL30156985

SCHEMBL30156985

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.58
▸ NPBWR1 P48145 3/20 0.58
▸ BCL2L1 Q07817 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ TFPI P10646 1/20 0.55
▸ GRIN2D O15399 1/20 0.54
▸ GRIN3B O60391 1/20 0.54
▸ GRIN1 Q05586 1/20 0.54
▸ GRIN2A Q12879 1/20 0.54
▸ GRIN2B Q13224 1/20 0.54
▸ GRIN2C Q14957 1/20 0.54
▸ GRIN3A Q8TCU5 1/20 0.54

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
SCHEMBL29483943 0.90 OPRL1 (0.65) OPRL1NPBWR1TFPI
SCHEMBL29385916 0.89 BACE1 (0.58) OPRL1NPBWR1BACE1
SCHEMBL10694201 0.88 BACE1 (0.60) BACE1TFPI
SCHEMBL31603940 0.87 BACE1 (0.66) BACE1
SCHEMBL30277899 0.87 BACE1 (0.62) BACE1TFPI
SCHEMBL30662329 0.86 TFPI (0.61) OPRL1BACE1TFPI
SCHEMBL30769537 0.86 TFPI (0.65) OPRL1TFPI
SCHEMBL29416071 0.86 BACE1 (0.58) BACE1TFPI
SCHEMBL31242354 0.85 TFPI (0.67) OPRL1TFPIGRIN2DGRIN3BGRIN1
SCHEMBL29466810 0.85 TFPI (0.67) OPRL1BACE1TFPIGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096668-A1 SYSTEM AND COMPOSITIONS COMPRISING MHC SCAFFOLD AND METHODS OF IDENTIFYING ANTIGENS USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-05-08 — — WO disclosed
US-20240366738-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES INC (US) 2024-11-07 — — US disclosed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 — — US disclosed
WO-2022259904-A1 FUSION PROTEIN SUBSTRATE FOR PROTEASE ACTIVITY MEASUREMENT 国立研究開発法人理化学研究所 2022-12-15 — — WO disclosed
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