SCHEMBL25567568

SCHEMBL25567568

CN(CCN(C)C(=O)C(C)(C)C)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ F13A1 P00488 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ PPIB P23284 1/20 0.35
▸ PPIA P62937 1/20 0.35
▸ PPID Q08752 1/20 0.35
▸ PPIG Q13427 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33

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
SCHEMBL25749356 0.87 PRSS1 (0.41) PRSS1TPSAB1HDAC1F13A1TGM2
SCHEMBL25751042 0.86 MEN1 (0.45) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL25748676 0.86 ESRRG (0.48) PRSS1TPSAB1ESRRGALDH1A1SMN1; SMN2
SCHEMBL25570107 0.86 PRSS1 (0.43) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL22423720 0.86 PRSS1 (0.45) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL25567572 0.85 PHLPP2 (0.49) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL26192260 0.85 PPARA (0.41) PRSS1TPSAB1HDAC1F13A1TGM2
SCHEMBL19592679 0.84 F13A1 (0.44) PRSS1TPSAB1HDAC1F13A1TGM2
SCHEMBL25686449 0.83 PRSS1 (0.45) PRSS1TPSAB1HDAC1PHLPP2F13A1
SCHEMBL21132846 0.83 F13A1 (0.41) PRSS1TPSAB1HDAC1F13A1TGM2

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-4186900-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF Ennovabio (Zhejiang) Pharmaceuticals Co., Ltd. (CN) 2023-05-31 — — EP disclosed
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