SCHEMBL8340560

SCHEMBL8340560

COC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.69
CACNA1D Q01668 3/20 0.69
CACNA1S Q13698 3/20 0.69
CACNA1C Q13936 3/20 0.69
ABCC1 P33527 1/20 0.66
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 4/20 0.64
HTT P42858 2/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 3/20 0.62
HPGD P15428 5/20 0.59
NPSR1 Q6W5P4 2/20 0.59
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ADORA3 P0DMS8 2/20 0.56
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL10895180 0.94 CACNA1F (0.76) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7817406 0.89 ABCC1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL11005916 0.87 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL3218696 0.86 KDM4E (0.68) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL11822298 0.84 HSD17B10 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL7436006 0.82 TSHR (0.72) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL8437311 0.81 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL9064391 0.81 ADORA3 (0.78) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL16137718 0.80 TSHR (0.70) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7881093 0.80 ALDH1A1 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CABCC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942526-A TREATMENT OF NERVOUS SYSTEM DISORDERS; SELECTIVE POTASSIUM CHANNEL MODULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
US-5646166-A POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed