SCHEMBL1307232

SCHEMBL1307232

O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccc2c(c1)ncn2CCc1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.39
EPHX2 P34913 1/20 0.37

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
SCHEMBL12034878 1.00 HSD11B1 (0.39) HSD11B1EPHX2
SCHEMBL1307107 1.00 HSD11B1 (0.39) HSD11B1EPHX2
SCHEMBL1308203 0.84 TYRO3 (0.46) HSD11B1EPHX2
SCHEMBL1307297 0.81 TYRO3 (0.42) HSD11B1EPHX2
SCHEMBL3810404 0.78 HCAR3 (0.44)
SCHEMBL1307067 0.77 HSD11B1 (0.41) HSD11B1
SCHEMBL1307402 0.77 HSD11B1 (0.41) HSD11B1
SCHEMBL12034853 0.77 HSD11B1 (0.41) HSD11B1
SCHEMBL1308731 0.76 ALDH1A1 (0.44) HSD11B1EPHX2
SCHEMBL12053708 0.76 ALDH1A1 (0.44) HSD11B1EPHX2

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
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed