SCHEMBL8217859

SCHEMBL8217859

CC[C@H](C)CNC(=O)N1CCC2(CC1)CN(CC(C)C)C2c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 17/20 0.61
NAMPT P43490 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRK1 P41145 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
SCHEMBL8226405 0.91 CACNA1H (0.50) CACNA1HNAMPTCYP2C19OPRK1
SCHEMBL8224871 0.87 CACNA1H (0.62) CACNA1HNAMPTCYP2C19OPRK1
SCHEMBL8224825 0.86 CACNA1H (0.67) CACNA1HNAMPTCYP2C19
SCHEMBL8224560 0.82 CACNA1H (0.88) CACNA1H
SCHEMBL8229812 0.81 CACNA1H (0.78) CACNA1H
SCHEMBL8226312 0.80 CACNA1H (0.60) CACNA1H
SCHEMBL8224073 0.80 CACNA1H (0.60) CACNA1HOPRK1
SCHEMBL8217756 0.79 CACNA1H (0.59) CACNA1H
SCHEMBL13596147 0.79 CACNA1H (0.70) CACNA1H
SCHEMBL8224691 0.77 CACNA1H (0.54) CACNA1HNAMPT

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-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed