SCHEMBL8099017

SCHEMBL8099017

CC(=O)OC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.44
HSD11B2 P80365 2/20 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
SCHEMBL2636721 0.83 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL12791827 0.83 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL3218526 0.83 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2
SCHEMBL3033655 0.81 HSD11B1 (0.42) HSD11B1HSD11B2EPHX2
SCHEMBL13081509 0.81 HSD11B1 (0.44) HSD11B1HSD11B2EPHX2
SCHEMBL8104917 0.79 SCN9A (0.39) HSD11B1
SCHEMBL12128673 0.78 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL1696544 0.77 HSD11B1 (0.48) HSD11B1
SCHEMBL13586952 0.77 HSD11B1 (0.41) HSD11B1HSD11B2EPHX2
SCHEMBL10087714 0.77 HSD11B1 (0.40) HSD11B1HSD11B2EPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed