SCHEMBL6594649

SCHEMBL6594649

CC(C)(C)OC(=O)N1CCC(O)(c2cccc3sccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.43
GPR119 Q8TDV5 4/20 0.41
PDK2 Q15119 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
GBA1 P04062 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 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
SCHEMBL6598647 0.83 KDM1A (0.39) DTYMKGPR119KDM1A
SCHEMBL15380793 0.83 HDAC4 (0.44) GPR119PDK2HDAC1HDAC8HDAC6
Succinic Acid SCHEMBL7566854 0.80 HTR1A (0.34) DTYMKGPR119TSHRALOX15ATM
Succinic Acid SCHEMBL7566851 0.80 HTR1A (0.34) DTYMKGPR119TSHRALOX15ATM
SCHEMBL17996847 0.80 DTYMK (0.48) DTYMKGPR119GBA1
SCHEMBL7492376 0.79 SLC6A1 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL14143335 0.78 CHRM2 (0.42) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL14143343 0.78 JAK1 (0.44) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL3249913 0.78 OPRD1 (0.49) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL429502 0.77 POLB (0.47) DTYMKGPR119PDK2HDAC1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed