SCHEMBL8696753

SCHEMBL8696753

CCCn1nc(C)c(C(=O)OCC)c1-c1ccc(-c2ccccc2C(=O)OC)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 1/20 0.42
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLK Q9H2G2 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8690404 0.81 AGTR1 (0.42)
SCHEMBL9060804 0.74 LTB4R2 (0.44) LTB4R2
SCHEMBL8695037 0.67 AGTR1 (0.44)
SCHEMBL7051555 0.66 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2MAPTTSHR
SCHEMBL9427527 0.65 AGTR1 (0.49) SLC6A3SLC6A4MAPTLTB4R2
SCHEMBL9429975 0.65 SMN1; SMN2 (0.55) SLC6A3SLC6A4MAPTL3MBTL1LTB4R2
SCHEMBL20928284 0.65 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2MAPK1MAPT
SCHEMBL7984003 0.64 ERN1 (0.65) SLC6A3SLC6A4SLC6A2MAPTTSHR
SCHEMBL4742997 0.64 TSHR (0.57) SLC6A3SLC6A4SLC6A2MAPK1MAPT
SCHEMBL28486252 0.64 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2MAPTTSHR

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-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed