SCHEMBL25899064

SCHEMBL25899064

CC(C)(C)OC(=O)N1CCCC(=O)C(Sc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
GPR119 Q8TDV5 1/20 0.38
ABHD6 Q9BV23 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
USP30 Q70CQ3 4/20 0.38
NOTUM Q6P988 1/20 0.37
MGLL Q99685 3/20 0.37
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
GLS O94925 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 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
SCHEMBL25898964 0.89 DDB1 (0.44) USP30MMP1MMP9MMP13
SCHEMBL25899022 0.86 GPR119 (0.42) GPR119USP30
SCHEMBL25899063 0.86 GPR119 (0.45) LIPEGPR119NOTUMMGLLKCNH2
SCHEMBL15781327 0.84 USP30 (0.40) GPR119USP30MMP1MMP9MMP13
SCHEMBL25898944 0.84 USP30 (0.44) GPR119USP30
SCHEMBL1810911 0.80 GPR119 (0.50) LIPEGPR119NOTUMMGLLKCNH2
SCHEMBL15781325 0.78 DDB1 (0.41) GPR119USP30
SCHEMBL15769035 0.78 FPR2 (0.45) GPR119USP30MMP1MMP9MMP13
SCHEMBL30898354 0.75 ABHD6 (0.53) LIPEGPR119ABHD6NOTUMMGLL
SCHEMBL30409654 0.75 ABHD6 (0.53) LIPEGPR119ABHD6NOTUMMGLL

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-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed