SCHEMBL31591902

SCHEMBL31591902

C[C@@H]1CNCCN1C(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.42
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
CTSK P43235 4/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.34
PLD1 Q13393 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACE P12821 1/20 0.34
HDAC1 Q13547 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PARP1 P09874 1/20 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
SCHEMBL27041826 0.82 PLD1 (0.38) PLD1
SCHEMBL21036475 0.77 PLD1 (0.36) PLD1
SCHEMBL21124325 0.77 PLD1 (0.36) PLD1
SCHEMBL30399462 0.74 PARP1 (0.34) CTSKPLD1GAAPARP1
SCHEMBL102293 0.73 PARP1 (0.46) PARP1
SCHEMBL102292 0.73 PARP1 (0.46) PARP1
SCHEMBL103217 0.73 PARP1 (0.46) PARP1
SCHEMBL23845159 0.72 HRH2 (0.48) HRH2HRH1CTSKCTSSCTSL
SCHEMBL9718051 0.72 HRH2 (0.48) HRH2HRH1CTSKCTSSCTSL
SCHEMBL22070275 0.72 ACE (0.57) HRH1ACE

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-4559912-A1 SULFUR-CONTAINING HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2025-05-28 EP disclosed