SCHEMBL10103461

SCHEMBL10103461

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(NCCc2ccncc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 12/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FYN P06241 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL10103468 0.92 HIF1A (0.40) HTTKDM4EGAAMAPTSMN1; SMN2
SCHEMBL10103445 0.86 HSD11B1 (0.42) HTTKDM4EMAPTSMN1; SMN2HSD11B1
SCHEMBL10085686 0.86 HSD11B1 (0.44) HSD11B1
SCHEMBL525282 0.86 HSD11B1 (0.44) HSD11B1
SCHEMBL10103465 0.85 TRPC3 (0.35) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103199 0.84 HTR3E (0.42) HTTGAAMAPTSMN1; SMN2HSD11B1
SCHEMBL10103350 0.84 HSD11B1 (0.43) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10102943 0.79 MAPK1 (0.39) HTTKDM4EGAAMAPTSMN1; SMN2
SCHEMBL10086305 0.78 HSD11B1 (0.52) HSD11B1
SCHEMBL525274 0.78 HSD11B1 (0.52) HSD11B1

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