SCHEMBL18201484

SCHEMBL18201484

CNCCOCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.68
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX2 P34913 8/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL3455397 0.81 OPRK1 (0.66) OPRK1ALDH1A1MEN1KMT2AMAPT
Tromantadine SCHEMBL148486 0.81 OPRK1 (1.00) OPRK1ALDH1A1MEN1KMT2AMAPT
Tromantadine SCHEMBL1376070 0.79 OPRK1 (0.97) OPRK1ALDH1A1MEN1KMT2AMAPT
Tromantadine SCHEMBL1651361 0.78 OPRK1 (0.94) OPRK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11355333 0.78 OPRK1 (0.61) OPRK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23846112 0.77 OPRK1 (0.61) OPRK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL23960193 0.74 OPRK1 (0.66) OPRK1ALDH1A1MEN1KMT2AMAPT
Tromantadine SCHEMBL2454301 0.72 OPRK1 (0.81) OPRK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8403724 0.71 EPHX2 (0.66) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL1718112 0.71 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTNPSR1

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-2016176396-A1 THERAPEUTIC COMBINATIONS OF ANTIVIRAL AND ANTI-INFLAMMATORY THERAPIES FORESIGHT BIOTHERAPEUTICS, INC. (US) 2016-11-03 WO disclosed