SCHEMBL29995697

SCHEMBL29995697

CC(C)(C)OC(=O)N(Cc1ccc(C#N)nn1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
CTSS P25774 3/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
PANK3 Q9H999 3/20 0.32
AR P10275 1/20 0.32
CTSK P43235 1/20 0.32
SSTR4 P31391 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 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
SCHEMBL27218621 1.00 GRM2 (0.33) GRM2GPR119CTSSCTSLCTSB
SCHEMBL5848039 0.77 CACNA1H (0.40) GRM2GPR119PANK3
SCHEMBL534301 0.75 PAX8 (0.38) GRM2HTR2CSLC6A4
SCHEMBL25362255 0.72 GRM2 (0.32) GRM2GPR119
SCHEMBL18301296 0.72 CACNA1H (0.38) GPR119CTSSCTSLCTSBPANK3
SCHEMBL1009189 0.71 NSD2 (0.45) GRM2CTSSCTSLCTSB
SCHEMBL29529170 0.70 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL30182704 0.69 GRM2 (0.38) GRM2SSTR4HTR2CSLC6A4
SCHEMBL27218622 0.69 GRM2 (0.36) GRM2GPR119CTSSCTSLCTSB
SCHEMBL12386820 0.69 GPR119 (0.37) GRM2GPR119SSTR4

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
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed