SCHEMBL7846281

SCHEMBL7846281

CC(C)(C)OC(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 2/20 0.53
TGM2 P21980 2/20 0.53
TGM1 P22735 2/20 0.53
NPY2R P49146 2/20 0.53
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NAMPT P43490 1/20 0.48
MAPT P10636 5/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5421815 0.91 NPY2R (0.55) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL8250828 0.91 F13A1 (0.53) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL8250825 0.90 L3MBTL1 (0.59) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL30063444 0.90 L3MBTL1 (0.59) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL8259530 0.88 NPY2R (0.56) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL4004656 0.88 F13A1 (0.50) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL8250948 0.87 L3MBTL1 (0.48) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL6510132 0.86 NPY2R (0.52) F13A1TGM2TGM1NPY2RL3MBTL1
SCHEMBL13541839 0.85 KDM4E (0.57) F13A1TGM2TGM1NPY2RKDM4E
SCHEMBL4563571 0.85 MEN1 (0.60) F13A1TGM2TGM1NPY2RKDM4E

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-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 EP disclosed