SCHEMBL7352182

SCHEMBL7352182

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
CACNA1B Q00975 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CACNA1F O60840 4/20 0.48
CACNA1D Q01668 4/20 0.48
CACNA1S Q13698 4/20 0.48
CACNA1C Q13936 4/20 0.48
HIF1A Q16665 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL7342224 0.90 HSD17B10 (0.65) HSD17B10CACNA1BADORA3MEN1KMT2A
SCHEMBL7342453 0.89 CACNA1F (0.63) HSD17B10ADORA3MEN1KMT2ACACNA1F
SCHEMBL7340104 0.89 HSD17B10 (0.63) HSD17B10CACNA1BADORA3MEN1KMT2A
SCHEMBL7350786 0.89 HSD17B10 (0.63) HSD17B10CACNA1BADORA3MEN1KMT2A
SCHEMBL7349033 0.88 CACNA1F (0.65) HSD17B10ADORA3MEN1KMT2ACACNA1F
SCHEMBL7349495 0.86 CACNA1F (0.65) HSD17B10ADORA3MEN1KMT2ACACNA1F
SCHEMBL10918103 0.85 MAPT (0.70) ADORA3MEN1KMT2ACACNA1FCACNA1D
SCHEMBL7350843 0.85 MAPT (0.70) ADORA3MEN1KMT2ACACNA1FCACNA1D
SCHEMBL7342557 0.83 HSD17B10 (0.66) HSD17B10CACNA1BADORA3MEN1KMT2A
SCHEMBL7349681 0.83 HSD17B10 (0.56) HSD17B10CACNA1BADORA3MEN1KMT2A

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