SCHEMBL19209713

SCHEMBL19209713

CCC(C)COC(=O)[C@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
FFAR1 O14842 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19366854 0.83 MAPT (0.43) MAPTFFAR1ALOX15TSHR
SCHEMBL19681670 0.83 MAPT (0.43) MAPTFFAR1ALOX15TSHR
SCHEMBL807502 0.82 CYP3A4 (0.40) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25526434 0.82 CYP3A4 (0.40) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14989535 0.82 CYP3A4 (0.40) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12414729 0.81 MAPT (0.48) MAPTFFAR1ALOX15CYP3A4TSHR
SCHEMBL6060785 0.81 MAPT (0.48) MAPTFFAR1ALOX15CYP3A4TSHR
SCHEMBL15569263 0.81 MAPT (0.42) MAPT
Hydrochloric Acid SCHEMBL28854892 0.80 CYP3A4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL16698594 0.80 CYP3A4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-3695844-A1 METHODS FOR TREATING NIPAH VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
CN-107709288-A Phosphamide derivative and preparation method and application thereof 四川海思科制药有限公司 2018-02-16 CN disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed