SCHEMBL7016486

SCHEMBL7016486

COC(=O)c1cc(N2CCOCC2)cc(C(=O)OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPK1 P28482 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
PLA2G1B P04054 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PLCG1 P19174 1/20 0.44

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
SCHEMBL245755 0.90 MAPT (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21044498 0.85 RAB9A (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17594976 0.84 PIK3CA (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31704893 0.82 CTSA (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL475555 0.81 MRGPRX4 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3997688 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5218939 0.80 PIK3CB (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16950261 0.80 KMO (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL593003 0.80 PIK3CB (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13494000 0.80 RBP4 (0.58) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed