SCHEMBL8647516

SCHEMBL8647516

CC(C)(C)OC(=O)N1CCC([S+]([O-])Cc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP13 P45452 1/20 0.48
POLB P06746 1/20 0.46
GPR119 Q8TDV5 6/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
TP53 P04637 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
DPP4 P27487 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
SCHEMBL4773698 0.83 MEN1 (0.51) MEN1KMT2AMMP13POLBGPR119
SCHEMBL4773466 0.80 TP53 (0.54) MEN1KMT2AMMP13POLBGPR119
SCHEMBL8647537 0.80 BRD3 (0.45) MEN1KMT2AMMP13POLBGPR119
SCHEMBL4139902 0.80 DNMT3A (0.56) MEN1KMT2AMMP13GPR119DNMT3A
SCHEMBL4152084 0.79 MAOB (0.52) MEN1KMT2AMMP13GPR119
SCHEMBL20002917 0.79 MEN1 (0.47) MEN1KMT2AMMP13POLBGPR119
SCHEMBL13590834 0.78 GPR119 (0.52) MEN1KMT2AMMP13POLBGPR119
SCHEMBL8647868 0.78 MEN1 (0.51) MEN1KMT2AMMP13POLBGPR119
SCHEMBL7495934 0.78 MEN1 (0.48) MEN1KMT2AMMP13POLBGPR119
SCHEMBL7495483 0.77 KMT2A (0.50) MEN1KMT2AMMP13GPR119DNMT3A

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
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed