SCHEMBL25731561

SCHEMBL25731561

Cn1ccc(C2CCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.54
PDE4B Q07343 1/20 0.47
TRPV3 Q8NET8 1/20 0.47
HPGDS O60760 1/20 0.46
GPR119 Q8TDV5 6/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.44
USP30 Q70CQ3 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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
SCHEMBL25731598 0.94 MGLL (0.53) MGLLPDE4BTRPV3HPGDSGPR119
SCHEMBL25731609 0.92 GPR119 (0.50) MGLLGPR119KDM4EMAPTTHRB
SCHEMBL25731611 0.81 MGLL (0.51) MGLLPDE4BKDM4E
SCHEMBL25304381 0.81 POLB (0.52) MGLLTRPV3
SCHEMBL29638842 0.80 MGLL (0.50) MGLLGPR119USP30
SCHEMBL29946091 0.80 KDM4E (0.50) TRPV3GPR119KDM4EMAPTTHRB
SCHEMBL21137324 0.80 MGLL (0.50) MGLLGPR119USP30
SCHEMBL6520490 0.79 HSD11B1 (0.55) PDE4BTRPV3HPGDSGPR119KDM4E
SCHEMBL25731552 0.79 MGLL (0.47) MGLLGPR119KDM4EHTT
SCHEMBL25258845 0.79 USP30 (0.43) PDE4BHPGDSGPR119USP30

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
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed