SCHEMBL8226558

SCHEMBL8226558

Cc1ccc(NC(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccccc2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.72
LMNA P02545 1/20 0.46
TRPV1 Q8NER1 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S1PR2 O95136 1/20 0.41

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
SCHEMBL8226349 0.92 CACNA1H (0.84) CACNA1HTRPV1NPC1
SCHEMBL13595994 0.91 CACNA1H (0.88) CACNA1HLMNAMAPTHTT
SCHEMBL8225905 0.87 CACNA1H (0.78) CACNA1HTRPV1
SCHEMBL8224175 0.86 CACNA1H (0.86) CACNA1HTRPV1NPC1SMN1; SMN2
SCHEMBL8217909 0.86 CACNA1H (0.69) CACNA1HTRPV1NPC1TP53RAB9A
SCHEMBL13595934 0.85 CACNA1H (0.87) CACNA1HMAPTS1PR2
SCHEMBL13595976 0.84 CACNA1H (1.00) CACNA1HMAPT
SCHEMBL8228087 0.82 CACNA1H (0.58) CACNA1HLMNATRPV1SMN1; SMN2
SCHEMBL8224721 0.82 CACNA1H (0.67) CACNA1HMAPTHTTSMN1; SMN2
SCHEMBL13595965 0.82 CACNA1H (0.73) CACNA1HSMN1; SMN2S1PR2

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