SCHEMBL8714030

SCHEMBL8714030

CC(C)CN1C2COCC1CC(=NO)C2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CHRNA7 P36544 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8717612 0.84
SCHEMBL3410709 0.78 CHRNA7 (0.32) CHRNA7
SCHEMBL8714076 0.78
SCHEMBL8718840 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8713712 0.77 PIK3CD (0.39) CYP2D6KDM4E
SCHEMBL3408479 0.77 CHRNA7 (0.41) CHRNA7
SCHEMBL8719638 0.75 CHRNA7 (0.33) CHRNA7
SCHEMBL8715017 0.75 CHRM1 (0.32)
SCHEMBL8717542 0.74 OPRM1 (0.34)
SCHEMBL25098696 0.74 CYP2D6 (0.40) CYP2D6LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed