SCHEMBL6976858

SCHEMBL6976858

CC(C)(C)OC(=O)N1CCC(Cc2ccsc2C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SYK P43405 1/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL3172041 0.77 MAPT (0.57) GPR119KDM4EPKMPTPN2PTPN1
SCHEMBL6984087 0.76 GPR119 (0.51) GPR119KDM4EPKMSYK
SCHEMBL5248569 0.76 KDM4E (0.55) GPR119KDM4EPKMALDH1A1PTPN2
SCHEMBL6981257 0.76 FAAH (0.46) GPR119KDM4EPKMSYKALDH1A1
SCHEMBL4773996 0.76 GPR119 (0.51) GPR119KDM4EPKM
SCHEMBL1405373 0.76 KDM4E (0.57) GPR119KDM4EPKMPTPN2PTPN1
SCHEMBL8386605 0.76 KDM4E (0.63) GPR119KDM4EPKMALDH1A1PTPN2
SCHEMBL3582211 0.75 EPHX2 (0.55) GPR119KDM4EPKMALDH1A1
SCHEMBL4500201 0.75 GPR119 (0.52) GPR119KDM4EPKMPTPN2PTPN1
SCHEMBL16825244 0.75 GPR119 (0.60) GPR119KDM4EPKM

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
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed