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SCHEMBL29412450

SCHEMBL29412450

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.57
▸ GLP1R P43220 6/20 0.56
▸ TLR2 O60603 4/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ PTH1R Q03431 2/20 0.54
▸ BACE1 P56817 1/20 0.54
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54
▸ CCKBR P32239 1/20 0.52

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
SCHEMBL30636834 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29350424 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29606879 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29606175 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL30043228 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29373802 1.00 NPBWR1 (0.57) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29417894 0.98 NPBWR1 (0.59) NPBWR1GLP1RTLR2RXFP1
SCHEMBL29375953 0.97 TLR2 (0.56) NPBWR1GLP1RTLR2RXFP1PTH1R
SCHEMBL29683439 0.93 NPBWR1 (0.59) NPBWR1GLP1R
SCHEMBL31387893 0.91 GLP1R (0.65) NPBWR1GLP1RPTH1RGCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368378-B Variants of 3-Methylcrotonate Decarboxylase (MDC) 环球生物能源公司 2025-01-07 — — CN claimed
WO-2023194412-A1 SIRNA TARGETING KCNA1 FONDO RICERCA MEDICA S.R.L. (IT) 2023-10-12 — — WO claimed
CN-112368378-B Variants of 3-Methylcrotonate Decarboxylase (MDC) 环球生物能源公司 2025-01-07 — — CN disclosed
US-20240384251-A1 ENGINEERED AMYLASE VARIANTS CODEXIS INC (US) 2024-11-21 — — US disclosed
US-12071642-B2 Engineered amylase variants CODEXIS, INC. (US) 2024-08-27 — — US disclosed
US-11959108-B2 Engineered protease variants CODEXIS, INC. (US) 2024-04-16 — — US disclosed
US-20240026326-A1 ENGINEERED AMYLASE VARIANTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2024-01-25 — — US disclosed
CN-117098847-A Engineered protease variants 科德克希思公司 2023-11-21 — — CN disclosed
CN-116897205-A Engineered amylase variants 科德克希思公司 2023-10-17 — — CN disclosed
WO-2023194412-A1 SIRNA TARGETING KCNA1 FONDO RICERCA MEDICA S.R.L. (IT) 2023-10-12 — — WO disclosed
US-11767519-B2 Engineered amylase variants CODEXIS, INC. (US) 2023-09-26 — — US disclosed
EP-3818155-B1 3-METHYLCROTONIC ACID DECARBOXYLASE (MDC) VARIANTS GLOBAL BIOENERGIES (FR) 2023-09-06 — — EP disclosed
EP-4220176-A2 BIOMARKERS St. George's Hospital Medical School (GB) 2023-08-02 — — EP disclosed
EP-4204552-A1 ENGINEERED AMYLASE VARIANTS Codexis, Inc. (US) 2023-07-05 — — EP disclosed
EP-4204554-A1 ENGINEERED PROTEASE VARIANTS Codexis, Inc. (US) 2023-07-05 — — EP disclosed
EP-3586144-B1 BIOMARKERS ST GEORGES HOSPITAL MEDICAL SCHOOL (GB) 2023-06-07 — — EP disclosed
US-20220090039-A1 ENGINEERED PROTEASE VARIANTS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-03-24 — — US disclosed
WO-2022047262-A1 ENGINEERED PROTEASE VARIANTS CODEXIS, INC. (US) 2022-03-03 — — WO disclosed
WO-2022047264-A1 ENGINEERED AMYLASE VARIANTS CODEXIS, INC. (US) 2022-03-03 — — WO disclosed
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