SCHEMBL8225905

SCHEMBL8225905

CC(C)N1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.78
TRPV1 Q8NER1 5/20 0.51
GRIN2B Q13224 1/20 0.48
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
PANK3 Q9H999 1/20 0.45
POLB P06746 1/20 0.45

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 0.92 CACNA1H (0.69) CACNA1HTRPV1
SCHEMBL8224175 0.91 CACNA1H (0.86) CACNA1HTRPV1
SCHEMBL13595981 0.90 CACNA1H (0.84) CACNA1HPANK3
SCHEMBL8226349 0.89 CACNA1H (0.84) CACNA1HTRPV1
SCHEMBL13595972 0.88 CACNA1H (0.67) CACNA1HTRPV1GRIN2BKMT2APANK3
SCHEMBL8218859 0.88 CACNA1H (1.00) CACNA1H
SCHEMBL8226558 0.87 CACNA1H (0.72) CACNA1HTRPV1
SCHEMBL13595934 0.87 CACNA1H (0.87) CACNA1HKMT2APANK3
SCHEMBL8224721 0.86 CACNA1H (0.67) CACNA1HGRIN2BKMT2APOLB
SCHEMBL8224751 0.85 CACNA1H (0.84) CACNA1HTRPV1POLB

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