SCHEMBL10103350

SCHEMBL10103350

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(NCc2cccnc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
VNN1 O95497 4/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 0.37
NAMPT P43490 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CHRNA7 P36544 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC3 O15379 1/20 0.35

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 0.91 HTR3E (0.42) HSD11B1ALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL525706 0.87 HSD11B1 (0.57) HSD11B1CYP17A1CYP19A1P2RX7
SCHEMBL10085606 0.87 HSD11B1 (0.57) HSD11B1CYP17A1CYP19A1P2RX7
SCHEMBL10102943 0.86 MAPK1 (0.39) HSD11B1ALDH1A1
SCHEMBL10103468 0.84 HIF1A (0.40) HSD11B1ALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL10103461 0.84 HTT (0.36) HSD11B1ALDH1A1CHRNA7HTR3EHTR3B
SCHEMBL10103465 0.81 TRPC3 (0.35) HSD11B1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL10103445 0.80 HSD11B1 (0.42) HSD11B1ALDH1A1P2RX7CHRNA7HTR3E
SCHEMBL10103346 0.80 HSD11B1 (0.34) HSD11B1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL525405 0.78 HSD11B1 (0.55) HSD11B1ALDH1A1

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