SCHEMBL7307501

SCHEMBL7307501

COC(=O)C1=C(C)NC(C)=C(c2nc(CCl)no2)C1c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.42
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
HIF1A Q16665 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL7316659 0.86 MAPT (0.60) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL7312562 0.85 LMNA (0.48) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7321330 0.84 ALDH1A1 (0.47) CACNA1BKMT2AMEN1CYP3A4CYP2C9
SCHEMBL7311289 0.82 ADORA3 (0.39) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10997771 0.81 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10999226 0.80 ADORA3 (0.43) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7315597 0.79 HIF1A (0.51) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL11002184 0.78 CACNA1B (0.45) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7885845 0.78 ADORA3 (0.59) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7321310 0.77 HIF1A (0.49) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A

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
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed