SCHEMBL8264407

SCHEMBL8264407

COCCCOc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.47
ELANE P08246 1/20 0.44
MCHR1 Q99705 3/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
HTR2A P28223 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAPK14 Q16539 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
SMPD1 P17405 2/20 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
SCHEMBL2933083 0.77 REN (0.82) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2933081 0.77 REN (0.82) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL665128 0.77 HSD17B2 (0.66) MCHR1MAPK14
SCHEMBL8251739 0.73 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2894252 0.72 MAPK14 (0.55) MAPK14
SCHEMBL18816698 0.72 HSD17B10 (0.54) MAPK14
SCHEMBL4863265 0.71 MAPK14 (0.54) MAPK14
SCHEMBL1561587 0.71 PDE4A (0.55)
SCHEMBL31053926 0.71 MAPK1 (0.63) SMPD1
SCHEMBL88998 0.71 CA12 (0.67) SMPD1

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
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed