SCHEMBL8931946

SCHEMBL8931946

Cc1nc2c(-c3ccccc3-c3nn[nH]n3)cccc2n1CCCCCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.48
AGTR2 P50052 5/20 0.48
GSTM2 P28161 1/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PIK3C2B O00750 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
SCHEMBL8931807 0.86 AGTR1 (0.47) AGTR1AGTR2GSTM2
SCHEMBL8931835 0.86 AGTR1 (0.44) AGTR1AGTR2GSTM2FABP4FABP5
SCHEMBL8931806 0.81 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931891 0.81 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931841 0.81 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931896 0.77 AGTR1 (0.49) AGTR1AGTR2GSTM2
SCHEMBL8931950 0.74 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8931793 0.73 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931824 0.72 OPRK1 (0.51)
SCHEMBL540852 0.72 LMNA (0.59) FABP4FABP5

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