SCHEMBL8228087

SCHEMBL8228087

Cc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.58
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGA5 P08648 2/20 0.42
MAPK1 P28482 1/20 0.41
FAAH O00519 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
SCHEMBL13595989 0.92 CACNA1H (0.67) CACNA1HGAAKMT2ASMN1; SMN2P2RX7
SCHEMBL8229860 0.88 CACNA1H (0.56) CACNA1HKMT2ALMNATRPV1
SCHEMBL8217909 0.87 CACNA1H (0.69) CACNA1HSMN1; SMN2TRPV1
SCHEMBL8224721 0.83 CACNA1H (0.67) CACNA1HKMT2ASMN1; SMN2
SCHEMBL13595941 0.82 CACNA1H (0.71) CACNA1HGAAKMT2AP2RX7FAAH
SCHEMBL8226558 0.82 CACNA1H (0.72) CACNA1HSMN1; SMN2LMNATRPV1
SCHEMBL8225905 0.82 CACNA1H (0.78) CACNA1HKMT2ATRPV1
SCHEMBL8224175 0.81 CACNA1H (0.86) CACNA1HSMN1; SMN2TRPV1
SCHEMBL13595986 0.81 CACNA1H (0.73) CACNA1HTRPV1
SCHEMBL8226349 0.80 CACNA1H (0.84) CACNA1HTRPV1

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