SCHEMBL10103346

SCHEMBL10103346

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(NCC2=CCCO2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.34
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 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
SCHEMBL10103199 0.83 HTR3E (0.42) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103350 0.80 HSD11B1 (0.43) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103468 0.78 HIF1A (0.40) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103461 0.78 HTT (0.36) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103465 0.76 TRPC3 (0.35) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103445 0.76 HSD11B1 (0.42) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10102950 0.75 KDM1A (0.46) HSD11B1
SCHEMBL10103196 0.75 HSD11B1 (0.40) HSD11B1
SCHEMBL10103112 0.74 HSD11B1 (0.42) HSD11B1
SCHEMBL10102943 0.73 MAPK1 (0.39) 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