SCHEMBL10103445

SCHEMBL10103445

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(NCCc2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.42
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC40A1 Q9NP59 2/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
P2RX7 Q99572 1/20 0.33

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 0.89 HIF1A (0.40) HSD11B1NPC1ALDH1A1MAPTRAB9A
SCHEMBL525357 0.87 HSD11B1 (0.55) HSD11B1
SCHEMBL10085604 0.87 HSD11B1 (0.55) HSD11B1
SCHEMBL10103461 0.86 HTT (0.36) HSD11B1NPC1ALDH1A1MAPTRAB9A
SCHEMBL10103112 0.84 HSD11B1 (0.42) HSD11B1NPC1ALDH1A1MAPTTDP1
SCHEMBL10103199 0.83 HTR3E (0.42) HSD11B1ALDH1A1MAPTTDP1RAB9A
SCHEMBL10103350 0.80 HSD11B1 (0.43) HSD11B1ALDH1A1HTR3EHTR3BCHRNA7
SCHEMBL10103465 0.78 TRPC3 (0.35) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10102943 0.77 MAPK1 (0.39) HSD11B1NPC1ALDH1A1MAPTRAB9A
SCHEMBL10103346 0.76 HSD11B1 (0.34) HSD11B1HTR3EHTR3BCHRNA7HTR3A

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