SCHEMBL25899063

SCHEMBL25899063

CC(C)(C)OC(=O)N1CCC(=O)C(Sc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
LIPE Q05469 1/20 0.42
MGLL Q99685 3/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PIM1 P11309 1/20 0.40
GLS O94925 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL25898980 0.89 MEN1 (0.48) GPR119KDM4EMAPTTHRBMEN1
SCHEMBL1810911 0.87 GPR119 (0.50) GPR119LIPEMGLLKCNH2SCN5A
SCHEMBL25899021 0.86 HPGDS (0.47) GPR119KDM4EMAPTTHRBMEN1
SCHEMBL25899064 0.86 LIPE (0.42) GPR119LIPEMGLLKCNH2SCN5A
SCHEMBL15769506 0.84 GPR119 (0.43) GPR119KDM4EMAPTTHRB
SCHEMBL25898943 0.83 GPR119 (0.53) GPR119KDM4EMAPTTHRBMEN1
SCHEMBL15769716 0.77 GPR119 (0.47) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL25864470 0.76 GPR119 (0.52) GPR119LIPEMGLLHSD11B1KDM4E
SCHEMBL30898354 0.76 ABHD6 (0.53) GPR119LIPEMGLLPIM1NOTUM
SCHEMBL30409654 0.76 ABHD6 (0.53) GPR119LIPEMGLLPIM1NOTUM

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