SCHEMBL8224484

SCHEMBL8224484

CC(C)N1CC2(CCN(C(=O)NC3=CC(F)CC(F)=C3)CC2)C1c1ccc(-c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.57
NPY5R Q15761 1/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC1 Q13547 2/20 0.35
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL8229746 0.88 CACNA1H (0.61) CACNA1HHDAC2HDAC1
SCHEMBL13595932 0.84 CACNA1H (0.81) CACNA1HNPY5RCYP3A4PAX8
SCHEMBL8218861 0.77 CACNA1H (0.70) CACNA1HHDAC2HDAC1
SCHEMBL8224709 0.75 CACNA1H (0.53) CACNA1H
SCHEMBL8224751 0.75 CACNA1H (0.84) CACNA1H
SCHEMBL8217748 0.75 CACNA1H (0.55) CACNA1HHDAC2HDAC1
SCHEMBL8218863 0.74 CACNA1H (0.67) CACNA1H
SCHEMBL8218859 0.73 CACNA1H (1.00) CACNA1H
SCHEMBL8218935 0.72 CACNA1H (0.89) CACNA1H
SCHEMBL13595977 0.71 CACNA1H (1.00) CACNA1H

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