Sugi Predict

Sugi Predict / Compounds / SCHEMBL8910607

SCHEMBL8910607

SCHEMBL8910607

CC1(C)C2CC[C@]1(C)CN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.49
▸ HSD11B1 P28845 1/20 0.47
▸ SIGMAR1 Q99720 10/20 0.45
▸ TSHR P16473 1/20 0.42
▸ EPHX1 P07099 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL8909815 0.90 SIGMAR1 (0.40) BPTFHSD11B1SIGMAR1TSHREPHX1
SCHEMBL8910246 0.87 SIGMAR1 (0.43) BPTFHSD11B1SIGMAR1TSHREPHX1
SCHEMBL8910605 0.78 SIGMAR1 (0.60) HSD11B1SIGMAR1HIF1A
SCHEMBL8909879 0.77 SIGMAR1 (0.43) HSD11B1SIGMAR1HIF1A
SCHEMBL8908767 0.76 SIGMAR1 (0.46) HSD11B1SIGMAR1HIF1A
SCHEMBL8908776 0.75 SIGMAR1 (0.41) SIGMAR1EPHX1ALDH1A1HIF1A
SCHEMBL8103083 0.74 SIGMAR1 (0.61) SIGMAR1HIF1A
SCHEMBL8103079 0.74 SIGMAR1 (0.61) SIGMAR1HIF1A
SCHEMBL8089848 0.74 SIGMAR1 (0.61) SIGMAR1HIF1A
SCHEMBL5499445 0.74 SIGMAR1 (0.47) SIGMAR1HIF1A

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-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 — — US disclosed