SCHEMBL8225903

SCHEMBL8225903

COC(=O)[C@H](CC(C)C)NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.61
POLB P06746 2/20 0.51
GAA P10253 2/20 0.46
FNTA P49354 1/20 0.45
PGGT1B P53609 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14263063 0.90 CACNA1H (0.74) CACNA1HPOLB
SCHEMBL8225883 0.86 CACNA1H (0.68) CACNA1HPOLBGAACYP3A4CYP2D6
SCHEMBL8223718 0.85 CACNA1H (0.83) CACNA1HGAACYP2D6CYP2C9MEN1
SCHEMBL13595891 0.82 CACNA1H (0.81) CACNA1HGAACYP2D6CYP2C9MEN1
SCHEMBL8217909 0.79 CACNA1H (0.69) CACNA1HCYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL14263089 0.78 CACNA1H (0.64) CACNA1HPOLB
SCHEMBL8223645 0.76 CACNA1H (0.85) CACNA1HCYP2D6CYP2C9MEN1KMT2A
SCHEMBL8225899 0.76 CACNA1H (0.52) CACNA1HPOLB
SCHEMBL8229860 0.76 CACNA1H (0.56) CACNA1HCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8228087 0.76 CACNA1H (0.58) CACNA1HGAAKMT2A

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