SCHEMBL7346339

SCHEMBL7346339

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
ADORA3 P0DMS8 1/20 0.46
PDE1C Q14123 4/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7348446 0.84 ADORA3 (0.46) ADORA3PDE1CMAPTCACNA1FCACNA1D
SCHEMBL7350838 0.82 HSD17B10 (0.63) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7342224 0.82 HSD17B10 (0.65) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7350786 0.80 HSD17B10 (0.63) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7340104 0.80 HSD17B10 (0.63) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7342453 0.80 CACNA1F (0.63) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7352182 0.80 HSD17B10 (0.63) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7340301 0.80 HSD17B10 (0.67) HSD17B10ADORA3MAPTCACNA1FCACNA1D
SCHEMBL7348450 0.79 ADORA3 (0.56) HSD17B10ADORA3MAPTTSHRCACNA1F
SCHEMBL7349611 0.79 HSD17B10 (0.64) HSD17B10ADORA3TSHRCACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed