SCHEMBL31040316

SCHEMBL31040316

[2H]C([2H])([2H])Oc1cc(C(C)N)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
F7 P08709 2/20 0.44
PRSS2 P07478 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
CFD P00746 1/20 0.44
F11 P03951 1/20 0.44
TPSB2 P20231 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30806026 0.90 NPC1 (0.52) F2F10PRSS1F7PRSS2
SCHEMBL6375554 0.90 NPC1 (0.52) F2F10PRSS1F7PRSS2
Hydrochloric Acid SCHEMBL8747244 0.89 NPC1 (0.51) F2F10PRSS1F7PRSS2
SCHEMBL10710291 0.89 CFD (0.49) F2F10PRSS1F7PRSS2
SCHEMBL6376690 0.85 SMPD1 (0.51) F2F10PRSS1F7PRSS2
SCHEMBL12738664 0.79 NPC1 (0.55) F2F10PRSS1F7PRSS2
SCHEMBL3232989 0.77 HTR1A (0.58) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL30712396 0.77 FFAR1 (0.48) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL31040310 0.77 KDM4E (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL682767 0.76 MAPT (0.49) F2F10PRSS1F7PRSS2

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
CN-115260185-B Deuterated derivative of corydaline and stephanine and preparation method thereof 杨征 2024-09-24 CN disclosed