SCHEMBL10103468

SCHEMBL10103468

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(NCCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HSD11B1 P28845 9/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10103461 0.92 HTT (0.36) HIF1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103199 0.91 HTR3E (0.42) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL10103445 0.89 HSD11B1 (0.42) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL525274 0.86 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL10086305 0.86 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL10103350 0.84 HSD11B1 (0.43) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL10103477 0.83 NPC1 (0.52) HSD11B1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10103112 0.80 HSD11B1 (0.42) HSD11B1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10103465 0.79 TRPC3 (0.35) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL10103346 0.78 HSD11B1 (0.34) HTR3EHTR3BCHRNA7HTR3AHTR3D

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-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed