SCHEMBL30849337

SCHEMBL30849337

CC(C)(C)OC(=O)N1CCC(n2c(=O)n(CCCCc3ccc(Cl)cc3)c3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.61
CACNA1H O95180 4/20 0.61
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 4/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ENPP2 Q13822 1/20 0.44
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CCR5 P51681 2/20 0.42

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
SCHEMBL30849341 0.93 CACNA1G (0.71) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL24709329 0.93 CACNA1G (0.71) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL27194844 0.92 CACNA1G (0.69) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL27194851 0.91 CACNA1G (0.61) CACNA1GCACNA1HCYP3A4CYP2D6MEN1
SCHEMBL24708702 0.91 CACNA1G (0.58) CACNA1GCACNA1HCYP3A4MEN1KMT2A
SCHEMBL24709344 0.91 CACNA1G (0.58) CACNA1GCACNA1HCYP3A4MEN1KMT2A
SCHEMBL24709345 0.90 CACNA1G (0.66) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL30849340 0.90 CACNA1G (0.66) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL27194842 0.88 CACNA1G (0.54) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1
SCHEMBL4703256 0.86 CACNA1G (0.52) CACNA1GCACNA1HCYP3A4CYP2D6OPRM1

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
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 EP disclosed