SCHEMBL18051173

SCHEMBL18051173

CNCC(=O)N[C@@H](CCCNC(N)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ SHMT1 P34896 1/20 0.35
▸ ALB P02768 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KISS1R Q969F8 1/20 0.34
▸ SIRT5 Q9NXA8 2/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ NOD1 Q9Y239 3/20 0.33
▸ F2 P00734 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ QRFPR Q96P65 1/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ NPY4R P50391 1/20 0.31
▸ NPY5R Q15761 1/20 0.31

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
SCHEMBL20793387 1.00 C3AR1 (0.41) C3AR1CTDSP1SHMT1ALBMEN1
SCHEMBL20375713 1.00 C3AR1 (0.41) C3AR1CTDSP1SHMT1ALBMEN1
SCHEMBL16656670 0.88 NPY4R (0.40) C3AR1ALBNPY1RNPY2RNPY4R
SCHEMBL24860409 0.85 C3AR1 (0.38) C3AR1CTDSP1SHMT1ALBMEN1
SCHEMBL22788849 0.84 C3AR1 (0.36) C3AR1CTDSP1SHMT1ALBMEN1
SCHEMBL18264761 0.84 NPY4R (0.46) SIRT5NPY1RNPY2RNPY4RNPY5R
SCHEMBL16234087 0.83 FOLH1 (0.48) ALBSIRT5SIRT6SIRT1FOLH1
SCHEMBL26167079 0.82 C3AR1 (0.38) C3AR1CTDSP1SHMT1ALBMEN1
SCHEMBL19170793 0.82 C3AR1 (0.44) C3AR1CTDSP1ALBSIRT5SIRT6
SCHEMBL24235573 0.81 KISS1R (0.41) ALBKISS1RSIRT5SIRT6SIRT1

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
EP-4306524-A2 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS PureTech LYT, Inc. (US) 2024-01-17 — — EP disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed
EP-2478912-B1 Auristatin conjugates with anti-HER2 or anti-CD22 antibodies and their use in therapy SEATTLE GENETICS INC (US) 2016-08-31 — — EP disclosed
Send feedback