SCHEMBL8529591

SCHEMBL8529591

CCOC(=O)c1cn(CCc2ccccc2)nc1N(C)c1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.43
AGT P01019 1/20 0.40
AGTR2 P50052 1/20 0.40
ADORA3 P0DMS8 7/20 0.38
ADORA2A P29274 7/20 0.38
ADORA1 P30542 6/20 0.38
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8533668 0.87 AGTR1 (0.45) AGTR1AGTAGTR2
SCHEMBL8602921 0.83 AGTR1 (0.43) AGTR1AGTAGTR2ADORA3ADORA2A
SCHEMBL9296555 0.77 AGTR1 (0.54) AGTR1AGTAGTR2
SCHEMBL8529152 0.72 AGT (0.42) AGTR1AGTAGTR2
SCHEMBL8532658 0.72 AGT (0.43) AGTR1AGTAGTR2
SCHEMBL8600996 0.72 AGT (0.42) AGTR1AGTAGTR2
SCHEMBL9591726 0.72 AGTR1 (0.55) AGTR1AGTAGTR2ALDH1A1SMN1; SMN2
SCHEMBL8602163 0.71 AGT (0.41) AGTR1AGTAGTR2
SCHEMBL9589082 0.71 AGTR1 (0.52) AGTR1AGTAGTR2
SCHEMBL9542915 0.71 AGT (0.46) AGTR1AGTAGTR2

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
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed