SCHEMBL8931844

SCHEMBL8931844

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.45
PPARG P37231 2/20 0.45
AGTR2 P50052 1/20 0.44
GSTM2 P28161 1/20 0.40

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
SCHEMBL8931841 0.85 AGTR1 (0.50) AGTR1PPARGAGTR2GSTM2
SCHEMBL8931806 0.85 AGTR1 (0.50) AGTR1PPARGAGTR2GSTM2
SCHEMBL8931891 0.85 AGTR1 (0.50) AGTR1PPARGAGTR2GSTM2
SCHEMBL8931896 0.83 AGTR1 (0.49) AGTR1PPARGAGTR2GSTM2
SCHEMBL8931878 0.81 AGTR1 (0.50) AGTR1PPARGAGTR2
SCHEMBL8931847 0.77 AGTR1 (0.45) AGTR1PPARGAGTR2
SCHEMBL23552634 0.73 JAK2 (0.55)
SCHEMBL8931824 0.69 OPRK1 (0.51)
SCHEMBL8931902 0.69 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8931809 0.69 AGTR1 (0.48) AGTR1PPARGAGTR2

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