SCHEMBL8551343

SCHEMBL8551343

COC(=O)c1cn(CCC2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.48
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
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
SCHEMBL8548648 0.89 FAAH (0.47) GPR119FAAHKDM4EPKMPTPN2
SCHEMBL8550086 0.83 ALDH1A1 (0.42) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL8549754 0.83 SMYD3 (0.45) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL8550973 0.80 GPR119 (0.51) GPR119ALDH1A1PTPN2PTPN1PTPN6
SCHEMBL23012615 0.79 KDM4E (0.48) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL23012422 0.77 GPR119 (0.44) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL24791688 0.75 KDM4E (0.48) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL1698854 0.74 GPR119 (0.57) GPR119FAAHKDM4EPKMALDH1A1
SCHEMBL25212200 0.74 GPR119 (0.46) GPR119ALDH1A1
SCHEMBL25616980 0.74 GPR119 (0.46) GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed