SCHEMBL25899635

SCHEMBL25899635

COC(=O)C(c1cc(OCC2CN(C(=O)OC(C)(C)C)C2)no1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.39
SCN9A Q15858 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
NAMPT P43490 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
USP30 Q70CQ3 3/20 0.35
NR1H2 P55055 1/20 0.35
PFKFB3 Q16875 1/20 0.35

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
SCHEMBL24756985 0.90 KDM4E (0.42) SCN9AALOX5APFEN1GPR119
SCHEMBL25308749 0.90 GABRA5 (0.40) GABRA5SCN9AEGLN2ALOX5APFEN1
SCHEMBL25900061 0.85 CACNB4 (0.42) GABRA5GPR119USP30
SCHEMBL21456251 0.84 SCN9A (0.46) SCN9AGPR119
SCHEMBL25899215 0.81 PKM (0.40) NAMPTGPR119USP30
SCHEMBL30187253 0.81 GPR119 (0.43) GPR119USP30
SCHEMBL24756984 0.80 FAAH (0.43) ALOX5APFEN1GPR119
SCHEMBL25427023 0.80 PKM (0.42) NAMPTGPR119USP30
SCHEMBL25899721 0.79 GPR119 (0.46) GPR119USP30
SCHEMBL25263491 0.79 SCN9A (0.38) SCN9ANAMPTGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 WO disclosed
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 WO disclosed