SCHEMBL4609353

SCHEMBL4609353

CC(C)(C)ONC1CCCC(NC(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
TAS1R2 Q8TE23 1/20 0.62
PKM P14618 1/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 5/20 0.51
EPHX2 P34913 1/20 0.49
HPGDS O60760 1/20 0.49
MCHR1 Q99705 1/20 0.49
GRM5 P41594 3/20 0.48
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 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
SCHEMBL2472926 0.86 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL4590917 0.84 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL10294731 0.81 NPC1 (0.66) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL4574282 0.79 USP30 (0.60) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL4575139 0.78 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL5751349 0.77 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2
SCHEMBL4590508 0.76 CARM1 (0.57) MCHR1ALDH1A1TSHR
SCHEMBL1580017 0.74 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL16219478 0.74 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2PKMRAB9A
SCHEMBL3678482 0.73 MCHR1 (0.60) RAB9ASMN1; SMN2NPC1EPHX2HPGDS

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
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed