SCHEMBL10103465

SCHEMBL10103465

O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1csc(Nc2ccncc2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 4/20 0.35
TRPC6 Q9Y210 4/20 0.35
HSD11B1 P28845 10/20 0.35
TRPA1 O75762 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
KDM1A O60341 3/20 0.34
AMY1A P0DUB6 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

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
SCHEMBL10103196 0.90 HSD11B1 (0.40) TRPC3TRPC6HSD11B1TRPA1CACNA1C
SCHEMBL10102950 0.90 KDM1A (0.46) TRPC3TRPC6HSD11B1TRPA1CACNA1C
SCHEMBL10102943 0.90 MAPK1 (0.39) HSD11B1
SCHEMBL10103115 0.90 HSD11B1 (0.42) TRPC3TRPC6HSD11B1TRPA1CACNA1C
SCHEMBL10103117 0.86 MAPT (0.36) TRPC3TRPC6HSD11B1TRPA1CACNA1C
SCHEMBL10103461 0.85 HTT (0.36) HSD11B1HTR3EHTR3BCHRNA7HTR3A
SCHEMBL10103112 0.85 HSD11B1 (0.42) HSD11B1
SCHEMBL10085602 0.85 HSD11B1 (0.48) HSD11B1
SCHEMBL525422 0.85 HSD11B1 (0.48) HSD11B1
SCHEMBL10103350 0.81 HSD11B1 (0.43) 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