SCHEMBL8225899

SCHEMBL8225899

CC(C)N1CC2(CCN(C(=O)NC(C)(C)CC(C)(C)C)CC2)C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.52
TRPV1 Q8NER1 6/20 0.39
CSNK1E P49674 1/20 0.39
POLB P06746 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL8217909 0.81 CACNA1H (0.69) CACNA1HTRPV1
SCHEMBL13595961 0.78 CACNA1H (0.67) CACNA1H
SCHEMBL8229860 0.78 CACNA1H (0.56) CACNA1HTRPV1
SCHEMBL8229857 0.77 CACNA1H (0.51) CACNA1HCSNK1EPOLBJAK2JAK1
SCHEMBL8228087 0.77 CACNA1H (0.58) CACNA1HTRPV1
SCHEMBL8224073 0.77 CACNA1H (0.60) CACNA1H
SCHEMBL8225905 0.76 CACNA1H (0.78) CACNA1HTRPV1POLB
SCHEMBL8225903 0.76 CACNA1H (0.61) CACNA1HPOLB
SCHEMBL8224175 0.76 CACNA1H (0.86) CACNA1HTRPV1
SCHEMBL8224611 0.75 CACNA1H (0.49) 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-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed