SCHEMBL8931806

SCHEMBL8931806

O=C(O)CCCCCCCn1c(-c2ccccc2-c2nn[nH]n2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.50
AGTR2 P50052 3/20 0.50
PPARG P37231 2/20 0.47
GSTM2 P28161 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8931891 1.00 AGTR1 (0.50) AGTR1AGTR2PPARGGSTM2L3MBTL1
SCHEMBL8931841 1.00 AGTR1 (0.50) AGTR1AGTR2PPARGGSTM2L3MBTL1
SCHEMBL8931896 0.96 AGTR1 (0.49) AGTR1AGTR2PPARGGSTM2L3MBTL1
SCHEMBL8931844 0.85 AGTR1 (0.45) AGTR1AGTR2PPARGGSTM2
SCHEMBL8931878 0.85 AGTR1 (0.50) AGTR1AGTR2PPARGL3MBTL1KDM4E
SCHEMBL8931824 0.82 OPRK1 (0.51) KDM4ELMNAKMT2AALDH1A1HTT
SCHEMBL8931946 0.81 AGTR1 (0.48) AGTR1AGTR2GSTM2
SCHEMBL8931807 0.78 AGTR1 (0.47) AGTR1AGTR2GSTM2
SCHEMBL23552634 0.77 JAK2 (0.55) KMT2A
SCHEMBL8931835 0.77 AGTR1 (0.44) AGTR1AGTR2GSTM2L3MBTL1KMT2A

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-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed