SCHEMBL29945849

SCHEMBL29945849

CC(C)(C)OC(=O)NCC1(CF)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
APLNR P35414 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
DRD2 P14416 3/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1H O95180 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34

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
SCHEMBL25557844 0.89 HCRTR2 (0.43) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL510027 0.84 TDP1 (0.46) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL13162528 0.83 HCRTR2 (0.42) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL18866772 0.81 HCRTR2 (0.41) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL16667030 0.81 MEN1 (0.41) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL25576178 0.81 TDP1 (0.47) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL25244689 0.80 HCRTR2 (0.40) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL23477886 0.79 HCRTR2 (0.39) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL25403363 0.79 CTSS (0.41) HCRTR2TDP1MEN1KMT2AGAA
SCHEMBL30299145 0.79 MAOA (0.50) HCRTR2TDP1MEN1KMT2AGAA

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-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 WO disclosed
WO-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed